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

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C20H19Cl2IN4O2S MolecularWeight: 577.26593

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C20H19Cl2IN4O2S/c1-12(28)26-7-9-27(10-8-26)18-16(22)3-2-4-17(18)24-20(30)25-19(29)14-11-13(23)5-6-15(14)21/h2-6,11H,7-10H2,1H3,(H2,24,25,29,30)