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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] butanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] butanoate CAS Name: butanoic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] butanoate Traditional Name: butyric acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S/c1-3-7-15(20)21-14-9-4-5-10-17(14,16(22)18-2)13-8-6-11-19-12-13/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3,(H,18,22)/t14-,17+/m1/s1