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

Systemtic Name: 2,3-bis(chloranyl)-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2,3-dichloro-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H24Cl2N4O2S MolecularWeight: 527.46536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C26H24Cl2N4O2S/c1-17-5-2-3-6-20(17)25(34)32-15-13-31(14-16-32)19-11-9-18(10-12-19)29-26(35)30-24(33)21-7-4-8-22(27)23(21)28/h2-12H,13-16H2,1H3,(H2,29,30,33,35)