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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

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