[(1R,2S)-2-(methylcarbamothioyl)-2-quinolin-3-yl-cyclohexyl] benzoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-quinolin-3-yl-cyclohexyl] benzoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-quinolyl)cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-quinolinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-quinolin-3-ylcyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-quinolyl)cyclohexyl] ester Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C24H24N2O2S/c1-25-23(29)24(19-15-18-11-5-6-12-20(18)26-16-19)14-8-7-13-21(24)28-22(27)17-9-3-2-4-10-17/h2-6,9-12,15-16,21H,7-8,13-14H2,1H3,(H,25,29)/t21-,24+/m1/s1