N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-methyl-1,8-naphthyridine-3-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-methyl-1,8-naphthyridine-3-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-2-methyl-1,8-naphthyridine-3-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2-methyl-1,8-naphthyridine-3-carboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-methyl-1,8-naphthyridine-3-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-2-methyl-1,8-naphthyridine-3-carboxamide Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=C3C(=C2)C=CC=N3)C)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=C3C(=C2)C=CC=N3)C)F

InChI

InChI=1S/C22H23FN4O2S/c1-3-4-5-11-29-19-9-8-16(13-18(19)23)26-22(30)27-21(28)17-12-15-7-6-10-24-20(15)25-14(17)2/h6-10,12-13H,3-5,11H2,1-2H3,(H2,26,27,28,30)