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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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