2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylbutan-2-yl)ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O2S/c1-4-22(2,3)25-19(27)14-29-21-24-18-8-6-5-7-17(18)20(28)26(21)13-15-9-11-16(23)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,25,27)