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

Systemtic Name: methyl 5-ethyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[1-(p-tolyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[1-(4-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[1-(p-tolyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-5-14-10-15(17(21)22-4)16(24-14)20-18(23)19-12(3)13-8-6-11(2)7-9-13/h6-10,12H,5H2,1-4H3,(H2,19,20,23)