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

Systemtic Name: ethyl 2-(cyclododecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclododecylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclododecylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H38N2O2S2 MolecularWeight: 486.73282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCCCCCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCCCCCCCCCC3

InChI

InChI=1S/C27H38N2O2S2/c1-3-31-26(30)24-23(21-16-12-11-13-17-21)20(2)33-25(24)29-27(32)28-22-18-14-9-7-5-4-6-8-10-15-19-22/h11-13,16-17,22H,3-10,14-15,18-19H2,1-2H3,(H2,28,29,32)