N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[4-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[4-[4-(3-bromobenzoyl)piperazino]phenyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C25H23BrClN3O2S MolecularWeight: 544.89102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H23BrClN3O2S/c26-19-3-1-2-18(16-19)25(32)30-14-12-29(13-15-30)22-8-6-21(7-9-22)28-24(31)17-33-23-10-4-20(27)5-11-23/h1-11,16H,12-15,17H2,(H,28,31)