ethyl 2-(3-methylbutylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-methylbutylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(isopentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylbutylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(isoamylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S2/c1-4-23-18(22)15-12-16(14-8-6-5-7-9-14)25-17(15)21-19(24)20-11-10-13(2)3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,20,21,24)