1-[(2-methylphenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(o-tolylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-[4-[(phenylthio)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(2-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=C1CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

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