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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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