ethyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(isobutyrylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-6-25-19(24)16-15(14-8-7-12(4)13(5)9-14)10-27-18(16)22-20(26)21-17(23)11(2)3/h7-11H,6H2,1-5H3,(H2,21,22,23,26)