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

Systemtic Name: methyl 2-(cyclododecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclododecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclododecylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H34N2O2S2 MolecularWeight: 458.67966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CCCCCCCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CCCCCCCCCCC3

InChI

InChI=1S/C25H34N2O2S2/c1-29-24(28)21-18-22(19-14-10-9-11-15-19)31-23(21)27-25(30)26-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,18,20H,2-8,12-13,16-17H2,1H3,(H2,26,27,30)