4-cyano-N-(3,4-dimethylphenyl)-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: 4-cyano-N-(3,4-dimethylphenyl)-4-phenyl-piperidine-1-carbothioamide Openeye Name: 4-cyano-N-(3,4-dimethylphenyl)-4-phenyl-piperidine-1-carbothioamide CAS Name: 4-cyano-N-(3,4-dimethylphenyl)-4-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-cyano-N-(3,4-dimethylphenyl)-4-phenylpiperidine-1-carbothioamide Traditional Name: 4-cyano-N-(3,4-dimethylphenyl)-4-phenyl-piperidine-1-carbothioamide Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3S/c1-16-8-9-19(14-17(16)2)23-20(25)24-12-10-21(15-22,11-13-24)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,23,25)