ethyl 4-(4-methylphenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-phenylpropanoylcarbamothioylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylthiocarbamoylamino)-4-(p-tolyl)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=C(C=C2)C)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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