N-(4-butyl-2-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-cyano-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-cyano-4-phenylpiperidine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Formula: C24H29N3S MolecularWeight: 391.57216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3S/c1-3-4-8-20-11-12-22(19(2)17-20)26-23(28)27-15-13-24(18-25,14-16-27)21-9-6-5-7-10-21/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,26,28)