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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H22FN3O2S/c1-4-14(3)25-20(27)16-7-5-6-8-18(16)24-21(25)28-12-19(26)23-15-10-9-13(2)17(22)11-15/h5-11,14H,4,12H2,1-3H3,(H,23,26)/t14-/m0/s1