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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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