N-[2-(4-fluorophenyl)ethyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-14(2)25-20(27)17-5-3-4-6-18(17)24-21(25)28-13-19(26)23-12-11-15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)