2-chloranyl-5-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O)Cl

InChI

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