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

Systemtic Name: 2-chloranyl-4-[[5-(3,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[[5-(3,4-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[[5-(3,4-dichlorophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H11Cl3N2O4S MolecularWeight: 469.72564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl)Cl)Cl

InChI

InChI=1S/C19H11Cl3N2O4S/c20-12-4-1-9(7-14(12)22)15-5-6-16(28-15)17(25)24-19(29)23-10-2-3-11(18(26)27)13(21)8-10/h1-8H,(H,26,27)(H2,23,24,25,29)