3-[[2,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[2,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(2,5-diiodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(2,5-diiodobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9ClI2N2O3S MolecularWeight: 586.5705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)I)I)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)I)I)Cl

InChI

InChI=1S/C15H9ClI2N2O3S/c16-10-3-1-7(14(22)23)5-12(10)19-15(24)20-13(21)9-6-8(17)2-4-11(9)18/h1-6H,(H,22,23)(H2,19,20,21,24)