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

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H23ClN2O2S2 MolecularWeight: 459.02392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O2S2/c1-3-28-22(27)20-19(17-7-5-4-6-8-17)15(2)30-21(20)26-23(29)25-14-13-16-9-11-18(24)12-10-16/h4-12H,3,13-14H2,1-2H3,(H2,25,26,29)