ethyl 3-[(4-cyano-4-phenyl-piperidin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-cyano-4-phenyl-piperidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 3-[(4-cyano-4-phenyl-piperidine-1-carbothioyl)amino]benzoate CAS Name: 3-[[(4-cyano-4-phenyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-cyano-4-phenylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 3-[(4-cyano-4-phenyl-piperidine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-2-27-20(26)17-7-6-10-19(15-17)24-21(28)25-13-11-22(16-23,12-14-25)18-8-4-3-5-9-18/h3-10,15H,2,11-14H2,1H3,(H,24,28)