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

Systemtic Name: ethyl 2-(diethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(diethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[diethylamino(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(diethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(diethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(24)20-17-16(18(22)23-6-3)13-15(25-17)12-14-10-8-7-9-11-14/h7-11,13H,4-6,12H2,1-3H3,(H,20,24)