2-chloranyl-5-iodanyl-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H24ClIN4O2S MolecularWeight: 618.91683

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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)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClIN4O2S/c1-17-4-2-3-5-21(17)25(34)32-14-12-31(13-15-32)20-9-7-19(8-10-20)29-26(35)30-24(33)22-16-18(28)6-11-23(22)27/h2-11,16H,12-15H2,1H3,(H2,29,30,33,35)