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

Systemtic Name: 3-[[5-(2-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-(2-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[5-(2-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H13N3O6S MolecularWeight: 411.38802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O6S/c23-17(21-19(29)20-12-5-3-4-11(10-12)18(24)25)16-9-8-15(28-16)13-6-1-2-7-14(13)22(26)27/h1-10H,(H,24,25)(H2,20,21,23,29)