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

Systemtic Name: ethyl 4-phenyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S2/c1-2-28-22(27)20-18(17-11-7-4-8-12-17)15-30-21(20)25-23(29)24-19(26)14-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H2,24,25,26,29)