4-cyano-N-(2,6-diethylphenyl)-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: 4-cyano-N-(2,6-diethylphenyl)-4-phenyl-piperidine-1-carbothioamide Openeye Name: 4-cyano-N-(2,6-diethylphenyl)-4-phenyl-piperidine-1-carbothioamide CAS Name: 4-cyano-N-(2,6-diethylphenyl)-4-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-cyano-N-(2,6-diethylphenyl)-4-phenylpiperidine-1-carbothioamide Traditional Name: 4-cyano-N-(2,6-diethylphenyl)-4-phenyl-piperidine-1-carbothioamide Formula: C23H27N3S MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3S/c1-3-18-9-8-10-19(4-2)21(18)25-22(27)26-15-13-23(17-24,14-16-26)20-11-6-5-7-12-20/h5-12H,3-4,13-16H2,1-2H3,(H,25,27)