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

Systemtic Name: 2-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentylacetamide IUPAC Name: 2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)F

Isomeric SMILES

CCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)F

InChI

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