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

Systemtic Name: ethyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(1-p-phenetylethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O3S2/c1-5-29-20-14-12-18(13-15-20)16(3)26-25(31)27-23-22(24(28)30-6-2)21(17(4)32-23)19-10-8-7-9-11-19/h7-16H,5-6H2,1-4H3,(H2,26,27,31)