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

Systemtic Name: methyl 4-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]benzoic acid methyl ester 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=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

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

InChI

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