N-(4-butylphenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-cyano-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-cyano-4-phenylpiperidine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Formula: C23H27N3S MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3S/c1-2-3-7-19-10-12-21(13-11-19)25-22(27)26-16-14-23(18-24,15-17-26)20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-17H2,1H3,(H,25,27)