3-[[5-(2,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[[5-(2,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[[5-(2,4-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[5-(2,4-dichlorophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H12Cl2N2O4S MolecularWeight: 435.28058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H12Cl2N2O4S/c20-11-4-5-13(14(21)9-11)15-6-7-16(27-15)17(24)23-19(28)22-12-3-1-2-10(8-12)18(25)26/h1-9H,(H,25,26)(H2,22,23,24,28)