2-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3-iodobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H11IN2O3S MolecularWeight: 426.22891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11IN2O3S/c16-10-5-3-4-9(8-10)13(19)18-15(22)17-12-7-2-1-6-11(12)14(20)21/h1-8H,(H,20,21)(H2,17,18,19,22)