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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)F

InChI

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