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

Systemtic Name: methyl 2-(dodecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dodecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dodecylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(laurylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H38N2O2S2 MolecularWeight: 474.72212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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