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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 4-(methylamino)-4-oxidanylidene-butanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 4-(methylamino)-4-oxo-butanoate CAS Name: 4-(methylamino)-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-(methylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(methylamino)butyric acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC(=O)OC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-19-15(22)8-9-16(23)24-14-7-3-4-10-18(14,17(25)20-2)13-6-5-11-21-12-13/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,25)/t14-,18+/m1/s1