2-chloranyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[3-chloro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[3-chloro-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[3-chloro-2-(4-tosylpiperazino)phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C25H23Cl2IN4O3S2 MolecularWeight: 689.41559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23Cl2IN4O3S2/c1-16-5-8-18(9-6-16)37(34,35)32-13-11-31(12-14-32)23-21(27)3-2-4-22(23)29-25(36)30-24(33)19-15-17(28)7-10-20(19)26/h2-10,15H,11-14H2,1H3,(H2,29,30,33,36)