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

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-5-methyl-isoxazole-4-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-5-methyl-4-isoxazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-5-methyl-isoxazole-4-carboxamide Formula: C17H20FN3O3S MolecularWeight: 365.422403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2)C)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2)C)F

InChI

InChI=1S/C17H20FN3O3S/c1-3-4-5-8-23-15-7-6-12(9-14(15)18)20-17(25)21-16(22)13-10-19-24-11(13)2/h6-7,9-10H,3-5,8H2,1-2H3,(H2,20,21,22,25)