methyl 2-(dodecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(dodecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dodecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dodecylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(laurylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H36N2O2S2 MolecularWeight: 460.69554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H36N2O2S2/c1-3-4-5-6-7-8-9-10-11-15-18-26-25(30)27-23-21(24(28)29-2)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)