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

Systemtic Name: 3-[[5-(3,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[[5-(3,4-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[[5-(3,4-dichlorophenyl)-2-furoyl]thiocarbamoylamino]-2-methyl-benzoic acid Formula: C20H14Cl2N2O4S MolecularWeight: 449.30716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H14Cl2N2O4S/c1-10-12(19(26)27)3-2-4-15(10)23-20(29)24-18(25)17-8-7-16(28-17)11-5-6-13(21)14(22)9-11/h2-9H,1H3,(H,26,27)(H2,23,24,25,29)