N-[3-(3-methylphenyl)phenyl]-1-(2-methylsulfanylethanoyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(3-methylphenyl)phenyl]-1-(2-methylsulfanylethanoyl)piperidine-3-carboxamide Openeye Name: 1-(2-methylsulfanylacetyl)-N-[3-(m-tolyl)phenyl]piperidine-3-carboxamide CAS Name: N-[3-(3-methylphenyl)phenyl]-1-[2-(methylthio)-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(3-methylphenyl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide Traditional Name: 1-[2-(methylthio)acetyl]-N-[3-(m-tolyl)phenyl]nipecotamide Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)CSC

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)CSC

InChI

InChI=1S/C22H26N2O2S/c1-16-6-3-7-17(12-16)18-8-4-10-20(13-18)23-22(26)19-9-5-11-24(14-19)21(25)15-27-2/h3-4,6-8,10,12-13,19H,5,9,11,14-15H2,1-2H3,(H,23,26)