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

Systemtic Name: 3-[(2-iodanylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2-iodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(2-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-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)NC(=S)NC2=CC=CC(=C2)C(=O)O)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)I

InChI

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