[(1R,2S)-2-carbamothioyl-2-pyridin-3-yl-cyclohexyl] benzoate

Systemtic Name: [(1R,2S)-2-carbamothioyl-2-pyridin-3-yl-cyclohexyl] benzoate Openeye Name: [(1R,2S)-2-carbamothioyl-2-(3-pyridyl)cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S)-2-carbamothioyl-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-carbamothioyl-2-pyridin-3-ylcyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-(3-pyridyl)-2-thiocarbamoyl-cyclohexyl] ester Formula: C19H20N2O2S MolecularWeight: 340.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC(=O)C2=CC=CC=C2)(C3=CN=CC=C3)C(=S)N

Isomeric SMILES

C1CC[C@@]([C@@H](C1)OC(=O)C2=CC=CC=C2)(C3=CN=CC=C3)C(=S)N

InChI

InChI=1S/C19H20N2O2S/c20-18(24)19(15-9-6-12-21-13-15)11-5-4-10-16(19)23-17(22)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H2,20,24)/t16-,19+/m1/s1