methyl 2-(dodecylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(dodecylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dodecylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dodecylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-(laurylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H36N2O2S2 MolecularWeight: 412.65274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)CC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)CC)C(=O)OC

InChI

InChI=1S/C21H36N2O2S2/c1-4-6-7-8-9-10-11-12-13-14-15-22-21(26)23-19-18(20(24)25-3)16-17(5-2)27-19/h16H,4-15H2,1-3H3,(H2,22,23,26)