ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(homoveratrylthiocarbamoylamino)-5-phenyl-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(=C1)C2=CC=CC=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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