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

Systemtic Name: ethyl 2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(4-fluorophenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H23FN2O2S2 MolecularWeight: 442.569323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O2S2/c1-2-28-22(27)20-15-19(14-17-6-4-3-5-7-17)30-21(20)26-23(29)25-13-12-16-8-10-18(24)11-9-16/h3-11,15H,2,12-14H2,1H3,(H2,25,26,29)