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

Systemtic Name: 2,4-bis(chloranyl)-5-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2,4-dichloro-5-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[(2-chloro-5-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2,4-dichloro-5-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H8Cl3IN2O3S MolecularWeight: 529.56409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)C(=O)NC(=S)NC2=C(C=C(C(=C2)C(=O)O)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1I)C(=O)NC(=S)NC2=C(C=C(C(=C2)C(=O)O)Cl)Cl)Cl

InChI

InChI=1S/C15H8Cl3IN2O3S/c16-9-2-1-6(19)3-7(9)13(22)21-15(25)20-12-4-8(14(23)24)10(17)5-11(12)18/h1-5H,(H,23,24)(H2,20,21,22,25)