1-(5-methyl-2-oxidanyl-phenyl)carbonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-methyl-2-oxidanyl-phenyl)carbonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-hydroxy-5-methyl-benzoyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-4-carboxamide CAS Name: 1-[(2-hydroxy-5-methylphenyl)-oxomethyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-hydroxy-5-methylbenzoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(2-hydroxy-5-methyl-benzoyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]isonipecotamide Formula: C26H24N2O3S MolecularWeight: 444.54536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C26H24N2O3S/c1-18-7-10-24(29)23(16-18)26(31)28-13-11-20(12-14-28)25(30)27-21-5-2-4-19(17-21)8-9-22-6-3-15-32-22/h2-7,10,15-17,20,29H,11-14H2,1H3,(H,27,30)