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

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2,1,3-benzoxadiazole-5-carboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]benzofurazan-5-carboxamide Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2)F

InChI

InChI=1S/C19H19FN4O3S/c1-2-3-4-9-26-17-8-6-13(11-14(17)20)21-19(28)22-18(25)12-5-7-15-16(10-12)24-27-23-15/h5-8,10-11H,2-4,9H2,1H3,(H2,21,22,25,28)