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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22BrClN4O2S/c26-18-10-11-20(27)19(16-18)23(32)29-25(34)28-21-8-4-5-9-22(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)