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

Systemtic Name: (2R,3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxamide Openeye Name: (2R,3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxamide CAS Name: (2R,3S)-N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxamide IUPAC Name: (2R,3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide Traditional Name: (2R,3S)-N-[2-(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=C3C(=O)NC4CC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)NC3=CC=CC=C3C(=O)NC4CC4)C5=CC=CS5

InChI

InChI=1S/C27H27N3O3S/c1-17-8-12-19(13-9-17)30-24(31)15-14-21(25(30)23-7-4-16-34-23)27(33)29-22-6-3-2-5-20(22)26(32)28-18-10-11-18/h2-9,12-13,16,18,21,25H,10-11,14-15H2,1H3,(H,28,32)(H,29,33)/t21-,25+/m0/s1