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

Systemtic Name: ethyl 2-(cyclododecylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(cyclododecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(cyclododecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(cyclododecylthiocarbamoylamino)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(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCCCCCCC3

InChI

InChI=1S/C27H38N2O2S2/c1-2-31-26(30)24-20-23(19-21-15-11-10-12-16-21)33-25(24)29-27(32)28-22-17-13-8-6-4-3-5-7-9-14-18-22/h10-12,15-16,20,22H,2-9,13-14,17-19H2,1H3,(H2,28,29,32)