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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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