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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-quinolin-3-yl-cyclohexyl] ethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-quinolyl)cyclohexyl] acetate CAS Name: acetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-quinolinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-quinolin-3-ylcyclohexyl] acetate Traditional Name: acetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-quinolyl)cyclohexyl] ester Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC1(C2=CC3=CC=CC=C3N=C2)C(=S)NC

Isomeric SMILES

CC(=O)O[C@@H]1CCCC[C@@]1(C2=CC3=CC=CC=C3N=C2)C(=S)NC

InChI

InChI=1S/C19H22N2O2S/c1-13(22)23-17-9-5-6-10-19(17,18(24)20-2)15-11-14-7-3-4-8-16(14)21-12-15/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3,(H,20,24)/t17-,19+/m1/s1