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

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

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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=C(C=CC(=C4)I)Cl

Isomeric SMILES

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

InChI

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