1-(4-bromophenyl)carbonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[3-(methylthio)phenyl]isonipecotamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-26-18-4-2-3-17(13-18)22-19(24)14-9-11-23(12-10-14)20(25)15-5-7-16(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,24)