3-bromanyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H24BrClN4O2S MolecularWeight: 571.91636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H24BrClN4O2S/c1-17-8-10-18(11-9-17)25(34)32-14-12-31(13-15-32)23-21(28)6-3-7-22(23)29-26(35)30-24(33)19-4-2-5-20(27)16-19/h2-11,16H,12-15H2,1H3,(H2,29,30,33,35)