1-(4-methylphenyl)-6-oxidanylidene-N-[3-(propanoylamino)phenyl]-2-thiophen-2-yl-piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-6-oxidanylidene-N-[3-(propanoylamino)phenyl]-2-thiophen-2-yl-piperidine-3-carboxamide Openeye Name: 6-oxo-N-[3-(propanoylamino)phenyl]-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxamide CAS Name: 1-(4-methylphenyl)-6-oxo-N-[3-(1-oxopropylamino)phenyl]-2-thiophen-2-yl-3-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)-6-oxo-N-[3-(propanoylamino)phenyl]-2-thiophen-2-ylpiperidine-3-carboxamide Traditional Name: 6-keto-N-(3-propionamidophenyl)-1-(p-tolyl)-2-(2-thienyl)nipecotamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCC(=O)N(C2C3=CC=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCC(=O)N(C2C3=CC=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N3O3S/c1-3-23(30)27-18-6-4-7-19(16-18)28-26(32)21-13-14-24(31)29(20-11-9-17(2)10-12-20)25(21)22-8-5-15-33-22/h4-12,15-16,21,25H,3,13-14H2,1-2H3,(H,27,30)(H,28,32)