ethyl 2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H28N2O4S2/c1-6-31-25(30)23-20(19-10-9-16(3)18(5)12-19)14-34-24(23)28-26(33)27-22(29)13-32-21-11-15(2)7-8-17(21)4/h7-12,14H,6,13H2,1-5H3,(H2,27,28,29,33)