ethyl 5-methyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[1-(p-tolyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[1-(4-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[1-(4-methylphenyl)ethylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[1-(p-tolyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S2/c1-5-28-23(27)21-20(19-9-7-6-8-10-19)17(4)30-22(21)26-24(29)25-16(3)18-13-11-15(2)12-14-18/h6-14,16H,5H2,1-4H3,(H2,25,26,29)