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

Systemtic Name: 2-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)ethanamide Openeye Name: N-(1,2-dimethylpropyl)-2-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide Traditional Name: N-(1,2-dimethylpropyl)-2-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2S/c1-13(2)14(3)23-19(26)12-28-21-24-18-10-5-4-9-17(18)20(27)25(21)16-8-6-7-15(22)11-16/h4-11,13-14H,12H2,1-3H3,(H,23,26)