Mrv1533004231514232D 25 27 0 0 0 0 999 V2000 5.6601 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9197 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2343 0.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0682 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1531 -1.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2726 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 2.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 2.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5126 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 1.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9739 2.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6593 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 1.0425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3997 2.5934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 3.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 4.2397 0.0000 S 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 5 22 1 0 0 0 0 17 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 2 0 0 0 0 M END > NP0196192 > NP-MRD > CCCCC1CC(OC(C)=O)C2CCCCC22CCC(CN12)N=C=S > InChI=1S/C20H32N2O2S/c1-3-4-7-17-12-19(24-15(2)23)18-8-5-6-10-20(18)11-9-16(21-14-25)13-22(17)20/h16-19H,3-13H2,1-2H3 > IXONKJHYKDTHBP-UHFFFAOYSA-N > C20H32N2O2S > 364.55 > 364.218449452 > 3 > 57 > 42.46687210763987 > 1 > 0 > 0 > 1 > 7-butyl-10-isothiocyanato-dodecahydropyrido[2,1-዆]quinolin-5-yl acetate > 4.86 > 4.464311320666667 > -4.73 > 1 > 3 > 1 > 7.548163931804072 > 41.9 > 103.62759999999999 > 6 > 1 > 6.73e-03 g/l > 7-butyl-10-isothiocyanato-dodecahydropyrido[2,1-዆]quinolin-5-yl acetate > 0 > NP0196192 > 6-butyl-3-isothiocyanato-dodecahydropyrido[2,1-j]quinolin-8-yl acetate $$$$