ethyl 2-(cyclopropylcarbamothioylamino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cyclopropylcarbamothioylamino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclopropylcarbamothioylamino)-5-methyl-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclopropylcarbamothioylamino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=S)NC3CC3

InChI

InChI=1S/C19H22N2O2S2/c1-4-23-18(22)16-15(13-7-5-11(2)6-8-13)12(3)25-17(16)21-19(24)20-14-9-10-14/h5-8,14H,4,9-10H2,1-3H3,(H2,20,21,24)