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

Systemtic Name: methyl 2-(dodecylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dodecylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dodecylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(laurylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H34N2O2S2 MolecularWeight: 398.62616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O2S2/c1-4-5-6-7-8-9-10-11-12-13-14-21-20(25)22-18-17(19(23)24-3)15-16(2)26-18/h15H,4-14H2,1-3H3,(H2,21,22,25)