1-(4-methylphenyl)carbonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)carbonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(4-methylbenzoyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-3-carboxamide CAS Name: 1-[(4-methylphenyl)-oxomethyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methylbenzoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-p-toluoyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]nipecotamide Formula: C26H24N2O2S MolecularWeight: 428.54596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C26H24N2O2S/c1-19-9-12-21(13-10-19)26(30)28-15-3-6-22(18-28)25(29)27-23-7-2-5-20(17-23)11-14-24-8-4-16-31-24/h2,4-5,7-10,12-13,16-17,22H,3,6,15,18H2,1H3,(H,27,29)