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

Systemtic Name: 1-[(3-methylphenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(m-tolylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(3-methylphenyl)methyl]-N-[4-[(phenylthio)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(3-methylbenzyl)-N-[4-[(phenylthio)methyl]phenyl]nipecotamide Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H30N2OS/c1-21-7-5-8-23(17-21)18-29-16-6-9-24(19-29)27(30)28-25-14-12-22(13-15-25)20-31-26-10-3-2-4-11-26/h2-5,7-8,10-15,17,24H,6,9,16,18-20H2,1H3,(H,28,30)