3,5-bis(iodanyl)-2-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-2-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-diiodo-2-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-diiodo-2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-diiodo-2-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-diiodo-2-[(2-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9I2N3O5S MolecularWeight: 597.123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)[N+](=O)[O-]

InChI

InChI=1S/C15H9I2N3O5S/c16-7-5-9(14(22)23)12(10(17)6-7)18-15(26)19-13(21)8-3-1-2-4-11(8)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26)