2-bromanyl-N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chloro-phenyl]carbamothioyl]-2-bromo-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)-5-chloroanilino]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)-5-chloro-phenyl]thiocarbamoyl]-2-bromo-benzamide Formula: C25H22BrClN4O2S MolecularWeight: 557.88978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22BrClN4O2S/c26-20-9-5-4-8-19(20)23(32)29-25(34)28-21-16-18(27)10-11-22(21)30-12-14-31(15-13-30)24(33)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H2,28,29,32,34)