N-(4-cyano-4-phenyl-piperidin-1-yl)carbothioyl-4-methyl-benzamide

Systemtic Name: N-(4-cyano-4-phenyl-piperidin-1-yl)carbothioyl-4-methyl-benzamide Openeye Name: N-(4-cyano-4-phenyl-piperidine-1-carbothioyl)-4-methyl-benzamide CAS Name: N-[(4-cyano-4-phenyl-1-piperidinyl)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-(4-cyano-4-phenylpiperidine-1-carbothioyl)-4-methylbenzamide Traditional Name: N-(4-cyano-4-phenyl-piperidine-1-carbothioyl)-4-methyl-benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-16-7-9-17(10-8-16)19(25)23-20(26)24-13-11-21(15-22,12-14-24)18-5-3-2-4-6-18/h2-10H,11-14H2,1H3,(H,23,25,26)