ethyl 5-methyl-4-phenyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O3S2/c1-3-29-23(28)21-20(18-12-8-5-9-13-18)16(2)31-22(21)26-24(30)25-19(27)15-14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3,(H2,25,26,27,30)