N-[4-[4-(2-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(2-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(2-bromobenzoyl)piperazin-1-yl]phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-[4-(2-bromobenzoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-[4-(2-bromobenzoyl)piperazino]phenyl]-2-(8-quinolylthio)acetamide Formula: C28H25BrN4O2S MolecularWeight: 561.4927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=CC=C5Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C28H25BrN4O2S/c29-24-8-2-1-7-23(24)28(35)33-17-15-32(16-18-33)22-12-10-21(11-13-22)31-26(34)19-36-25-9-3-5-20-6-4-14-30-27(20)25/h1-14H,15-19H2,(H,31,34)