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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-(dodecylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(dodecylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(dodecylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-(dodecylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(laurylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H39N3O3S2 MolecularWeight: 469.70406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N3O3S2/c1-6-7-8-9-10-11-12-13-14-15-16-24-23(30)25-20-18(22(28)29-5)17(2)19(31-20)21(27)26(3)4/h6-16H2,1-5H3,(H2,24,25,30)