5-iodanyl-2-(thiophen-2-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 5-iodanyl-2-(thiophen-2-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 5-iodo-2-(thiophene-2-carbonylcarbamothioylamino)benzoic acid CAS Name: 5-iodo-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-(thiophene-2-carbonylcarbamothioylamino)benzoic acid Traditional Name: 5-iodo-2-(2-thenoylthiocarbamoylamino)benzoic acid Formula: C13H9IN2O3S2 MolecularWeight: 432.25663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9IN2O3S2/c14-7-3-4-9(8(6-7)12(18)19)15-13(20)16-11(17)10-2-1-5-21-10/h1-6H,(H,18,19)(H2,15,16,17,20)