ethyl 4,5-dimethyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(phenethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S2/c1-4-22-17(21)15-12(2)13(3)24-16(15)20-18(23)19-11-10-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H2,19,20,23)