5-iodanyl-2-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-iodanyl-2-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H12IN3O6S MolecularWeight: 537.28455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O

InChI

InChI=1S/C19H12IN3O6S/c20-11-4-5-14(13(9-11)18(25)26)21-19(30)22-17(24)16-7-6-15(29-16)10-2-1-3-12(8-10)23(27)28/h1-9H,(H,25,26)(H2,21,22,24,30)