N-(2,6-dimethylphenyl)-1-methyl-4-[(phenylmethyl)-(3-thiophen-2-ylpropanoyl)amino]piperidine-4-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-1-methyl-4-[(phenylmethyl)-(3-thiophen-2-ylpropanoyl)amino]piperidine-4-carboxamide Openeye Name: 4-[benzyl-[3-(2-thienyl)propanoyl]amino]-N-(2,6-dimethylphenyl)-1-methyl-piperidine-4-carboxamide CAS Name: N-(2,6-dimethylphenyl)-1-methyl-4-[(1-oxo-3-thiophen-2-ylpropyl)-(phenylmethyl)amino]-4-piperidinecarboxamide IUPAC Name: 4-[benzyl(3-thiophen-2-ylpropanoyl)amino]-N-(2,6-dimethylphenyl)-1-methylpiperidine-4-carboxamide Traditional Name: 4-[benzyl-[3-(2-thienyl)propanoyl]amino]-N-(2,6-dimethylphenyl)-1-methyl-isonipecotamide Formula: C29H35N3O2S MolecularWeight: 489.6721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(CCN(CC2)C)N(CC3=CC=CC=C3)C(=O)CCC4=CC=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(CCN(CC2)C)N(CC3=CC=CC=C3)C(=O)CCC4=CC=CS4

InChI

InChI=1S/C29H35N3O2S/c1-22-9-7-10-23(2)27(22)30-28(34)29(16-18-31(3)19-17-29)32(21-24-11-5-4-6-12-24)26(33)15-14-25-13-8-20-35-25/h4-13,20H,14-19,21H2,1-3H3,(H,30,34)