[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 4-(dimethylamino)-4-oxidanylidene-butanoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 4-(dimethylamino)-4-oxidanylidene-butanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 4-(dimethylamino)-4-oxo-butanoate CAS Name: 4-(dimethylamino)-4-oxobutanoic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 4-(dimethylamino)-4-oxobutanoate Traditional Name: 4-(dimethylamino)-4-keto-butyric acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)CCC(=O)N(C)C)C2=CN=CC=C2

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)CCC(=O)N(C)C)C2=CN=CC=C2

InChI

InChI=1S/C19H27N3O3S/c1-20-18(26)19(14-7-6-12-21-13-14)11-5-4-8-15(19)25-17(24)10-9-16(23)22(2)3/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,20,26)/t15-,19+/m1/s1