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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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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)OC)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)OC)C

InChI

InChI=1S/C22H20N2O5S/c1-12-4-5-14(10-13(12)2)17-8-9-19(29-17)20(25)24-22(30)23-16-11-15(21(26)27)6-7-18(16)28-3/h4-11H,1-3H3,(H,26,27)(H2,23,24,25,30)