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

Systemtic Name: 4-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[[5-(3-chloro-4-methyl-phenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[[5-(3-chloro-4-methylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[5-(3-chloro-4-methyl-phenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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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)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)C(=O)O)Cl

InChI

InChI=1S/C20H15ClN2O4S/c1-11-2-3-13(10-15(11)21)16-8-9-17(27-16)18(24)23-20(28)22-14-6-4-12(5-7-14)19(25)26/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)