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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-12-6-7-14(10-13(12)2)17-8-9-18(27-17)19(24)23-21(28)22-16-5-3-4-15(11-16)20(25)26/h3-11H,1-2H3,(H,25,26)(H2,22,23,24,28)