N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-2-methyl-5-(trifluoromethyl)oxazole-4-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2-methyl-5-(trifluoromethyl)-4-oxazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-2-methyl-5-(trifluoromethyl)oxazole-4-carboxamide Formula: C18H19F4N3O3S MolecularWeight: 433.420373

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(OC(=N2)C)C(F)(F)F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(OC(=N2)C)C(F)(F)F)F

InChI

InChI=1S/C18H19F4N3O3S/c1-3-4-5-8-27-13-7-6-11(9-12(13)19)24-17(29)25-16(26)14-15(18(20,21)22)28-10(2)23-14/h6-7,9H,3-5,8H2,1-2H3,(H2,24,25,26,29)