ethyl 4-(3,4-dimethylphenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-phenylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(hydrocinnamoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S2/c1-4-30-24(29)22-20(19-12-10-16(2)17(3)14-19)15-32-23(22)27-25(31)26-21(28)13-11-18-8-6-5-7-9-18/h5-10,12,14-15H,4,11,13H2,1-3H3,(H2,26,27,28,31)