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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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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=C(C=CC(=C3)C(=O)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-12-4-6-15(10-14(12)3)18-8-9-19(28-18)20(25)24-22(29)23-17-11-16(21(26)27)7-5-13(17)2/h4-11H,1-3H3,(H,26,27)(H2,23,24,25,29)