N-[3-(3-methylphenyl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(3-methylphenyl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxamide Openeye Name: 1-(3-methylsulfanylpropanoyl)-N-[3-(m-tolyl)phenyl]piperidine-3-carboxamide CAS Name: N-[3-(3-methylphenyl)phenyl]-1-[3-(methylthio)-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(3-methylphenyl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxamide Traditional Name: 1-[3-(methylthio)propanoyl]-N-[3-(m-tolyl)phenyl]nipecotamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)CCSC

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)CCSC

InChI

InChI=1S/C23H28N2O2S/c1-17-6-3-7-18(14-17)19-8-4-10-21(15-19)24-23(27)20-9-5-12-25(16-20)22(26)11-13-28-2/h3-4,6-8,10,14-15,20H,5,9,11-13,16H2,1-2H3,(H,24,27)