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

Systemtic Name: 4-methoxy-3-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C20H15N3O7S MolecularWeight: 441.414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O7S/c1-29-16-6-5-12(19(25)26)10-14(16)21-20(31)22-18(24)17-8-7-15(30-17)11-3-2-4-13(9-11)23(27)28/h2-10H,1H3,(H,25,26)(H2,21,22,24,31)