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

Systemtic Name: methyl 5-methyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[sulfanylidene-(undecylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(undecylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H32N2O2S2 MolecularWeight: 384.59958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O2S2/c1-4-5-6-7-8-9-10-11-12-13-20-19(24)21-17-16(18(22)23-3)14-15(2)25-17/h14H,4-13H2,1-3H3,(H2,20,21,24)