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

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C26H23Cl2IN4O2S MolecularWeight: 653.36189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23Cl2IN4O2S/c1-16-4-2-3-5-19(16)25(35)33-12-10-32(11-13-33)23-9-7-18(15-22(23)28)30-26(36)31-24(34)20-14-17(29)6-8-21(20)27/h2-9,14-15H,10-13H2,1H3,(H2,30,31,34,36)