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

Systemtic Name: ethyl 2-(dodecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(dodecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(dodecylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(laurylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H38N2O2S2 MolecularWeight: 474.72212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C26H38N2O2S2/c1-3-5-6-7-8-9-10-11-12-16-19-27-26(31)28-24-22(25(29)30-4-2)20-23(32-24)21-17-14-13-15-18-21/h13-15,17-18,20H,3-12,16,19H2,1-2H3,(H2,27,28,31)