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

Systemtic Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,2-oxazole-5-carboxamide Openeye Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]isoxazole-5-carboxamide CAS Name: N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-isoxazolecarboxamide IUPAC Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,2-oxazole-5-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]isoxazole-5-carboxamide Formula: C17H18F3N3O3S MolecularWeight: 401.40333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=NO2)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=NO2)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O3S/c1-2-3-4-9-25-13-6-5-11(10-12(13)17(18,19)20)22-16(27)23-15(24)14-7-8-21-26-14/h5-8,10H,2-4,9H2,1H3,(H2,22,23,24,27)