NP-MRD: Showing NP-Card for 4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide (NP0161204)

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Record Information

Version

2.0

Created at

2022-09-02 19:19:46 UTC

Updated at

2022-09-02 19:19:46 UTC

NP-MRD ID

NP0161204

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide

Description

NSC622164 belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. 4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide is found in Lamellodysidea herbacea. NSC622164 is a moderately basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 42  0  0  0  0  0  0  0  0999 V2000
   -2.4562   -1.0640    1.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9618   -0.4549    0.1555 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8822   -0.4825   -0.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6843    0.2970   -0.4570 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0792    1.7017   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2435    2.1696    1.1670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    3.4023    1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714    4.1822    0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293    3.0712   -1.0193 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442    0.2744   -1.4557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    0.7963   -2.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6485   -0.2348   -1.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632   -0.2209   -2.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810   -0.7565    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -1.1893    0.3531 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9350   -2.2414   -0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3023   -0.0470    0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4444    1.0463   -0.8339 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    0.9525    1.8788 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9180   -0.6191    1.0639 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0829   -1.3615   -0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7477   -0.7219   -1.8768 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3582   -2.9681   -0.5932 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3279   -1.4243    0.9147 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806   -0.3518    2.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -1.8571    1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3009   -1.5892    1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3063    0.5791    0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -0.0963   -1.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5928   -1.5381   -1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2878   -0.1530    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327    3.8193    2.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0646    5.2486    0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426    1.8916   -2.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144    0.2668   -3.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985    0.5680   -3.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -1.6280    0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6743    0.0491    0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.6957    1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428   -2.6631   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2676   -3.1010   -0.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448   -1.8568   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  2 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
  9  5  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  1
  3 29  1  0
  3 30  1  0
  4 31  1  1
 11 34  1  0
 11 35  1  0
 11 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  1
 16 40  1  0
 16 41  1  0
 16 42  1  0
  7 32  1  0
  8 33  1  0
M  END


  Mrv1533004241515362D          

 24 24  0  0  0  0            999 V2000
    1.9967    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    1.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191    2.7643    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171    1.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921    3.0663    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    2.7643    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1237    1.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2987    3.0663    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0161204

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CC(N(C)C(=O)CC(C)C(Cl)(Cl)Cl)C1=NC=CS1)C(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C14H18Cl6N2OS/c1-8(13(15,16)17)6-10(12-21-4-5-24-12)22(3)11(23)7-9(2)14(18,19)20/h4-5,8-10H,6-7H2,1-3H3

> <INCHI_KEY>
JECCGIIKQAYOFQ-UHFFFAOYSA-N

> <FORMULA>
C14H18Cl6N2OS

> <MOLECULAR_WEIGHT>
475.07

> <EXACT_MASS>
471.9271006

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
42.52348691129335

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,4,4-trichloro-N,3-dimethyl-N-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide

> <ALOGPS_LOGP>
5.24

> <JCHEM_LOGP>
4.923202374666666

> <ALOGPS_LOGS>
-5.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.1182693709245077

> <JCHEM_POLAR_SURFACE_AREA>
33.2

> <JCHEM_REFRACTIVITY>
106.07589999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.28e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,4,4-trichloro-N,3-dimethyl-N-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       3.727   2.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.727   3.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.393   4.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -0.274   4.390   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -0.274   5.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.608   3.620   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.608   2.080   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.941   4.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.275   3.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.275   2.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.609   4.390   0.000  0.00  0.00           C+0
HETATM   13 Cl   UNK     0      -6.942   5.160   0.000  0.00  0.00          Cl+0
HETATM   14 Cl   UNK     0      -6.379   3.056   0.000  0.00  0.00          Cl+0
HETATM   15 Cl   UNK     0      -4.839   5.724   0.000  0.00  0.00          Cl+0
HETATM   16  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.306   1.175   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   20  S   UNK     0      -0.186   1.175   0.000  0.00  0.00           S+0
HETATM   21  C   UNK     0       5.061   4.390   0.000  0.00  0.00           C+0
HETATM   22 Cl   UNK     0       6.395   5.160   0.000  0.00  0.00          Cl+0
HETATM   23 Cl   UNK     0       5.831   3.056   0.000  0.00  0.00          Cl+0
HETATM   24 Cl   UNK     0       4.291   5.724   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   16                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12                                                            
CONECT   16    4   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   16                                                       
CONECT   21    2   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₁₈Cl₆N₂OS

Average Mass

475.0700 Da

Monoisotopic Mass

471.92710 Da

IUPAC Name

4,4,4-trichloro-N,3-dimethyl-N-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide

Traditional Name

4,4,4-trichloro-N,3-dimethyl-N-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide

CAS Registry Number

Not Available

SMILES

CC(CC(N(C)C(=O)CC(C)C(Cl)(Cl)Cl)C1=NC=CS1)C(Cl)(Cl)Cl

InChI Identifier

InChI=1S/C14H18Cl6N2OS/c1-8(13(15,16)17)6-10(12-21-4-5-24-12)22(3)11(23)7-9(2)14(18,19)20/h4-5,8-10H,6-7H2,1-3H3

InChI Key

JECCGIIKQAYOFQ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Lamellodysidea herbacea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

N-acyl-amine
Azole
Tertiary carboxylic acid amide
Thiazole
Heteroaromatic compound
Carboxamide group
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Organic oxygen compound
Alkyl chloride
Carbonyl group
Organic nitrogen compound
Alkyl halide
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	5.24	ALOGPS
logP	4.92	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Basic)	2.12	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	33.2 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	106.08 m³·mol⁻¹	ChemAxon
Polarizability	42.52 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

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Phenol Explorer Compound ID

Not Available

FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

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BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

494396

PDB ID

Not Available

ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide (NP0161204)

MOL for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

3D MOL for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

3D SDF for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

3D-SDF for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

PDB for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

3D PDB for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

SMILES for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

INCHI for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

Structure for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)

3D Structure for NP0161204 (4,4,4-trichloro-n,3-dimethyl-n-[4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide)