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

Systemtic Name: 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-2-yl-ethanamide Openeye Name: 2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-methylbutyl)acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-methylbutyl)acetamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F

InChI

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