N-[3-fluoranyl-4-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]phenyl]ethanamide

Systemtic Name: N-[3-fluoranyl-4-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]phenyl]ethanamide Openeye Name: N-[3-fluoro-4-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]acetamide CAS Name: N-[3-fluoro-4-[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]phenyl]acetamide IUPAC Name: N-[3-fluoro-4-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide Traditional Name: N-[3-fluoro-4-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]acetamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O3S/c1-12(2)25-20(28)16-6-4-5-7-18(16)24-21(25)29-11-19(27)15-9-8-14(10-17(15)22)23-13(3)26/h4-10,12H,11H2,1-3H3,(H,23,26)