methyl 4,5-dimethyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[sulfanylidene-(undecylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(undecylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H34N2O2S2 MolecularWeight: 398.62616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O2S2/c1-5-6-7-8-9-10-11-12-13-14-21-20(25)22-18-17(19(23)24-4)15(2)16(3)26-18/h5-14H2,1-4H3,(H2,21,22,25)