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

Systemtic Name: ethyl 2-(cyclododecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclododecylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclododecylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H36N2O2S2 MolecularWeight: 472.70624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2S2/c1-2-30-25(29)22-19-23(20-15-11-10-12-16-20)32-24(22)28-26(31)27-21-17-13-8-6-4-3-5-7-9-14-18-21/h10-12,15-16,19,21H,2-9,13-14,17-18H2,1H3,(H2,27,28,31)