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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)F

InChI

InChI=1S/C22H24FN3O2S/c1-14(2)10-11-26-21(28)17-6-4-5-7-19(17)25-22(26)29-13-20(27)24-16-9-8-15(3)18(23)12-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)