1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-(phenylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[2-(phenylthio)ethyl]nipecotamide Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2OS/c22-19-8-4-6-17(14-19)15-24-12-5-7-18(16-24)21(25)23-11-13-26-20-9-2-1-3-10-20/h1-4,6,8-10,14,18H,5,7,11-13,15-16H2,(H,23,25)