5-iodanyl-2-(phenylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 5-iodanyl-2-(phenylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 2-(benzoylcarbamothioylamino)-5-iodo-benzoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-iodobenzoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)-5-iodobenzoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)-5-iodo-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=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

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

InChI

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