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

Systemtic Name: 3-[[2,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(2,5-diiodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2,5-diiodobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10I2N2O3S MolecularWeight: 552.12544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10I2N2O3S/c16-9-4-5-12(17)11(7-9)13(20)19-15(23)18-10-3-1-2-8(6-10)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)