methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(1-p-phenetylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C19H24N2O3S2/c1-6-24-15-9-7-14(8-10-15)12(3)20-19(25)21-17-16(18(22)23-5)11(2)13(4)26-17/h7-10,12H,6H2,1-5H3,(H2,20,21,25)