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

Systemtic Name: ethyl 2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(4-fluorophenyl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21FN2O2S2 MolecularWeight: 428.542743

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O2S2/c1-2-27-21(26)18-14-19(16-6-4-3-5-7-16)29-20(18)25-22(28)24-13-12-15-8-10-17(23)11-9-15/h3-11,14H,2,12-13H2,1H3,(H2,24,25,28)