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

Systemtic Name: ethyl 2-[1-(4-ethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(4-ethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-ethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-ethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(4-ethylphenyl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O2S2/c1-5-18-12-14-19(15-13-18)16(3)26-25(30)27-23-22(24(28)29-6-2)21(17(4)31-23)20-10-8-7-9-11-20/h7-16H,5-6H2,1-4H3,(H2,26,27,30)