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

Systemtic Name: 2-(furan-2-ylcarbonylcarbamothioylamino)-5-iodanyl-benzoic acid Openeye Name: 2-(furan-2-carbonylcarbamothioylamino)-5-iodo-benzoic acid CAS Name: 2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-(furan-2-carbonylcarbamothioylamino)-5-iodobenzoic acid Traditional Name: 2-(2-furoylthiocarbamoylamino)-5-iodo-benzoic acid Formula: C13H9IN2O4S MolecularWeight: 416.19103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9IN2O4S/c14-7-3-4-9(8(6-7)12(18)19)15-13(21)16-11(17)10-2-1-5-20-10/h1-6H,(H,18,19)(H2,15,16,17,21)