ethyl 5-methyl-2-(2-methylpropanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(2-methylpropanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(2-methylpropanoylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(2-methylpropanoylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isobutyrylthiocarbamoylamino)-5-methyl-4-phenyl-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=CC=C2)C)NC(=S)NC(=O)C(C)C

Isomeric SMILES

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

InChI

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