methyl 2-(cyclododecylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclododecylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclododecylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclododecylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2CCCCCCCCCCC2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2CCCCCCCCCCC2)C(=O)OC

InChI

InChI=1S/C21H34N2O2S2/c1-3-17-15-18(20(24)25-2)19(27-17)23-21(26)22-16-13-11-9-7-5-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3,(H2,22,23,26)