N-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[4-[4-(4-bromobenzoyl)piperazino]phenyl]-2-(2-pyridylthio)acetamide Formula: C24H23BrN4O2S MolecularWeight: 511.43402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN4O2S/c25-19-6-4-18(5-7-19)24(31)29-15-13-28(14-16-29)21-10-8-20(9-11-21)27-22(30)17-32-23-3-1-2-12-26-23/h1-12H,13-17H2,(H,27,30)