[2-(1-pyridin-3-ylcyclohexyl)ethanethioylamino] benzoate

Systemtic Name: [2-(1-pyridin-3-ylcyclohexyl)ethanethioylamino] benzoate Openeye Name: [[2-[1-(3-pyridyl)cyclohexyl]ethanethioyl]amino] benzoate CAS Name: benzoic acid [[2-[1-(3-pyridinyl)cyclohexyl]-1-sulfanylideneethyl]amino] ester IUPAC Name: [[2-(1-pyridin-3-ylcyclohexyl)ethanethioyl]amino] benzoate Traditional Name: benzoic acid [[2-[1-(3-pyridyl)cyclohexyl]thioacetyl]amino] ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=S)NOC(=O)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)(CC(=S)NOC(=O)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H22N2O2S/c23-19(16-8-3-1-4-9-16)24-22-18(25)14-20(11-5-2-6-12-20)17-10-7-13-21-15-17/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,22,25)