methyl 2-[(4-cyano-4-phenyl-piperidin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 2-[(4-cyano-4-phenyl-piperidin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[(4-cyano-4-phenyl-piperidine-1-carbothioyl)amino]benzoate CAS Name: 2-[[(4-cyano-4-phenyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-cyano-4-phenylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 2-[(4-cyano-4-phenyl-piperidine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-26-19(25)17-9-5-6-10-18(17)23-20(27)24-13-11-21(15-22,12-14-24)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,27)