1-(4-bromophenyl)carbonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-bromobenzoyl)isonipecotamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O2S/c23-20-8-6-19(7-9-20)22(27)25-13-10-18(11-14-25)21(26)24-12-15-28-16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,26)