(2S,3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxamide

Systemtic Name: (2S,3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxamide Openeye Name: (2S,3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxamide CAS Name: (2S,3R)-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxamide IUPAC Name: (2S,3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide Traditional Name: (2S,3R)-N-[3-(cyclopropylcarbamoyl)phenyl]-6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CCC2=O)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)C5=CC=CS5

InChI

InChI=1S/C27H27N3O3S/c1-17-7-11-21(12-8-17)30-24(31)14-13-22(25(30)23-6-3-15-34-23)27(33)29-20-5-2-4-18(16-20)26(32)28-19-9-10-19/h2-8,11-12,15-16,19,22,25H,9-10,13-14H2,1H3,(H,28,32)(H,29,33)/t22-,25+/m1/s1