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

Systemtic Name: ethyl 2-(dodecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(dodecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(dodecylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(laurylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H40N2O2S2 MolecularWeight: 488.7487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2S2/c1-4-6-7-8-9-10-11-12-13-17-20-28-27(32)29-25-24(26(30)31-5-2)23(21(3)33-25)22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20H2,1-3H3,(H2,28,29,32)