N-[4-(3-methylphenyl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide Openeye Name: 1-(3-methylsulfanylpropanoyl)-N-[4-(m-tolyl)phenyl]piperidine-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[3-(methylthio)-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide Traditional Name: 1-[3-(methylthio)propanoyl]-N-[4-(m-tolyl)phenyl]isonipecotamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)CCSC

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)CCSC

InChI

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