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

Systemtic Name: 2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-2-yl-ethanamide Openeye Name: 2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-methylbutyl)acetamide CAS Name: 2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide Traditional Name: 2-[[3-(2-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=CC=C3F

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F

InChI

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