methyl 5-ethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(3-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H22N2O2S2/c1-3-14-12-15(17(21)22-2)16(24-14)20-18(23)19-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,19,20,23)