N-(5-fluoranyl-2-methyl-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-fluoro-2-methyl-phenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-fluoro-2-methylphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-fluoro-2-methyl-phenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

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