methyl 3-(phenethylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(phenethylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(phenethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[(phenethylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(phenethylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(phenethylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C15H16N2O2S2 MolecularWeight: 320.42974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2S2/c1-19-14(18)13-12(8-10-21-13)17-15(20)16-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H2,16,17,20)