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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methyl-ethanamide Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-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-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide Traditional Name: N-(3-fluorobenzyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H24FN3O2S/c1-4-15(2)26-21(28)18-10-5-6-11-19(18)24-22(26)29-14-20(27)25(3)13-16-8-7-9-17(23)12-16/h5-12,15H,4,13-14H2,1-3H3/t15-/m0/s1