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

Systemtic Name: 5-iodanyl-2-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-[(2-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10IN3O5S MolecularWeight: 471.22647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H10IN3O5S/c16-8-5-6-11(10(7-8)14(21)22)17-15(25)18-13(20)9-3-1-2-4-12(9)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)