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

Systemtic Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-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:

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC=C(C=C2)OCC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC=C(C=C2)OCC)C(=O)OC

InChI

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