methyl 2-(dodecylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(dodecylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dodecylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dodecylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-(laurylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H38N2O2S2 MolecularWeight: 426.67932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O2S2/c1-5-7-8-9-10-11-12-13-14-15-16-23-22(27)24-20-19(21(25)26-4)18(6-2)17(3)28-20/h5-16H2,1-4H3,(H2,23,24,27)