2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-5-iodanyl-benzoic acid

Systemtic Name: 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-5-iodanyl-benzoic acid Openeye Name: 2-(benzofuran-2-carbonylcarbamothioylamino)-5-iodo-benzoic acid CAS Name: 2-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-(1-benzofuran-2-carbonylcarbamothioylamino)-5-iodobenzoic acid Traditional Name: 2-(benzofuran-2-carbonylthiocarbamoylamino)-5-iodo-benzoic acid Formula: C17H11IN2O4S MolecularWeight: 466.24971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O

InChI

InChI=1S/C17H11IN2O4S/c18-10-5-6-12(11(8-10)16(22)23)19-17(25)20-15(21)14-7-9-3-1-2-4-13(9)24-14/h1-8H,(H,22,23)(H2,19,20,21,25)