3-bromanyl-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H22BrClN4O2S MolecularWeight: 557.88978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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