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

Systemtic Name: 2-bromanyl-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2-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=C3Br)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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