N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-quinolin-4-yl-5H-1,2-oxazole-4-carboxamide

Systemtic Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-quinolin-4-yl-5H-1,2-oxazole-4-carboxamide Openeye Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-(4-quinolyl)-5H-isoxazole-4-carboxamide CAS Name: N-[4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-(4-quinolinyl)-5H-isoxazole-4-carboxamide IUPAC Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-quinolin-4-yl-5H-1,2-oxazole-4-carboxamide Traditional Name: N-[4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]-2-(4-quinolyl)-3-isoxazoline-4-carboxamide Formula: C28H24FN5O2S MolecularWeight: 513.585863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CN(OC3)C4=CC=NC5=CC=CC=C54

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CN(OC3)C4=CC=NC5=CC=CC=C54

InChI

InChI=1S/C28H24FN5O2S/c1-18(19-6-8-21(29)9-7-19)31-28(37)33-23-12-10-22(11-13-23)32-27(35)20-16-34(36-17-20)26-14-15-30-25-5-3-2-4-24(25)26/h2-16,18H,17H2,1H3,(H,32,35)(H2,31,33,37)