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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[2-(2-furylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[2-(2-furanylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[2-(2-furfurylthio)ethyl]isonipecotamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O3S/c21-17-5-3-16(4-6-17)20(25)23-10-7-15(8-11-23)19(24)22-9-13-27-14-18-2-1-12-26-18/h1-6,12,15H,7-11,13-14H2,(H,22,24)