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

Systemtic Name: 2-methyl-3-[[5-(3-nitrophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-[[5-(3-nitrophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H15N3O6S/c1-11-14(19(25)26)6-3-7-15(11)21-20(30)22-18(24)17-9-8-16(29-17)12-4-2-5-13(10-12)23(27)28/h2-10H,1H3,(H,25,26)(H2,21,22,24,30)