1-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[(4-cyanophenyl)methylthio]-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-[(4-cyanobenzyl)thio]acetyl]-N-phenyl-nipecotamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCC2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCC2=CC=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c23-13-17-8-10-18(11-9-17)15-28-16-21(26)25-12-4-5-19(14-25)22(27)24-20-6-2-1-3-7-20/h1-3,6-11,19H,4-5,12,14-16H2,(H,24,27)