[2-(methylcarbamothioyl)-2-pyridin-4-yl-cyclohexyl] benzoate

Systemtic Name: [2-(methylcarbamothioyl)-2-pyridin-4-yl-cyclohexyl] benzoate Openeye Name: [2-(methylcarbamothioyl)-2-(4-pyridyl)cyclohexyl] benzoate CAS Name: benzoic acid [2-[methylamino(sulfanylidene)methyl]-2-pyridin-4-ylcyclohexyl] ester IUPAC Name: [2-(methylcarbamothioyl)-2-pyridin-4-ylcyclohexyl] benzoate Traditional Name: benzoic acid [2-(methylthiocarbamoyl)-2-(4-pyridyl)cyclohexyl] ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H22N2O2S/c1-21-19(25)20(16-10-13-22-14-11-16)12-6-5-9-17(20)24-18(23)15-7-3-2-4-8-15/h2-4,7-8,10-11,13-14,17H,5-6,9,12H2,1H3,(H,21,25)