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

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[2-(methylthio)phenyl]isonipecotamide Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2OS/c1-25-19-8-3-2-7-18(19)22-20(24)16-9-11-23(12-10-16)14-15-5-4-6-17(21)13-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,24)