[methyl-(1-pyridin-4-ylcyclohexyl)carbothioyl-amino] benzoate

Systemtic Name: [methyl-(1-pyridin-4-ylcyclohexyl)carbothioyl-amino] benzoate Openeye Name: [methyl-[1-(4-pyridyl)cyclohexanecarbothioyl]amino] benzoate CAS Name: benzoic acid [methyl-[(1-pyridin-4-ylcyclohexyl)-sulfanylidenemethyl]amino] ester IUPAC Name: [methyl-(1-pyridin-4-ylcyclohexanecarbothioyl)amino] benzoate Traditional Name: benzoic acid [methyl-[1-(4-pyridyl)cyclohexanecarbothioyl]amino] ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)C1(CCCCC1)C2=CC=NC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C(=S)C1(CCCCC1)C2=CC=NC=C2)OC(=O)C3=CC=CC=C3

InChI

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