ethyl 4-(4-methylphenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(2-methylpropanoylcarbamothioylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isobutyrylthiocarbamoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c1-5-24-18(23)15-14(13-8-6-12(4)7-9-13)10-26-17(15)21-19(25)20-16(22)11(2)3/h6-11H,5H2,1-4H3,(H2,20,21,22,25)