2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(benzofuran-2-carbonylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 2-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-(1-benzofuran-2-carbonylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 2-(benzofuran-2-carbonylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C17H10I2N2O4S MolecularWeight: 592.14624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)I)I

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)I)I

InChI

InChI=1S/C17H10I2N2O4S/c18-9-6-10(16(23)24)14(11(19)7-9)20-17(26)21-15(22)13-5-8-3-1-2-4-12(8)25-13/h1-7H,(H,23,24)(H2,20,21,22,26)