4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-iodobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-iodobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H11IN2O3S MolecularWeight: 426.22891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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