ethyl 5-methyl-4-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-(undecylamino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(undecylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C26H38N2O2S2 MolecularWeight: 474.72212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C26H38N2O2S2/c1-4-6-7-8-9-10-11-12-16-19-27-26(31)28-24-23(25(29)30-5-2)22(20(3)32-24)21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19H2,1-3H3,(H2,27,28,31)