N-butyl-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H22FN3O2S/c1-3-4-11-23-19(26)13-28-21-24-18-8-6-5-7-16(18)20(27)25(21)15-10-9-14(2)17(22)12-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)