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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-methyl-N-[4-(methylthio)benzyl]isonipecotamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O2S/c1-24(15-16-3-9-20(28-2)10-4-16)21(26)18-11-13-25(14-12-18)22(27)17-5-7-19(23)8-6-17/h3-10,18H,11-15H2,1-2H3