1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-(phenylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[2-(phenylthio)ethyl]isonipecotamide Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)CC3=CC(=CC=C3)Br

InChI

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