ethyl 4-(3,4-dimethoxyphenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(phenethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4S2/c1-4-30-23(27)21-18(17-10-11-19(28-2)20(14-17)29-3)15-32-22(21)26-24(31)25-13-12-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,25,26,31)