1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide

Systemtic Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide Openeye Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide CAS Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(phenylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide Traditional Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(phenylthio)ethyl]nipecotamide Formula: C23H25BrN4O2S MolecularWeight: 501.4392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC(=NO2)C3=CC(=CC=C3)Br)C(=O)NCCSC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)CC2=NC(=NO2)C3=CC(=CC=C3)Br)C(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C23H25BrN4O2S/c24-19-8-4-6-17(14-19)22-26-21(30-27-22)16-28-12-5-7-18(15-28)23(29)25-11-13-31-20-9-2-1-3-10-20/h1-4,6,8-10,14,18H,5,7,11-13,15-16H2,(H,25,29)