2-chloranyl-4-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(2-chloro-5-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9Cl2IN2O3S MolecularWeight: 495.11903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)Cl)C(=O)O

InChI

InChI=1S/C15H9Cl2IN2O3S/c16-11-4-1-7(18)5-10(11)13(21)20-15(24)19-8-2-3-9(14(22)23)12(17)6-8/h1-6H,(H,22,23)(H2,19,20,21,24)