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

Systemtic Name: ethyl 2-(cyclooctylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(cyclooctylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(cyclooctylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(cyclooctylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(cyclooctylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCCC3

InChI

InChI=1S/C23H30N2O2S2/c1-2-27-22(26)20-16-19(15-17-11-7-6-8-12-17)29-21(20)25-23(28)24-18-13-9-4-3-5-10-14-18/h6-8,11-12,16,18H,2-5,9-10,13-15H2,1H3,(H2,24,25,28)