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

Systemtic Name: ethyl 5-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-(undecylamino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(undecylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H36N2O2S2 MolecularWeight: 460.69554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2S2/c1-3-5-6-7-8-9-10-11-15-18-26-25(30)27-23-21(24(28)29-4-2)19-22(31-23)20-16-13-12-14-17-20/h12-14,16-17,19H,3-11,15,18H2,1-2H3,(H2,26,27,30)