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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O2S/c1-3-4-13-26-21(28)18-7-5-6-8-19(18)25-22(26)29-15(2)20(27)24-14-16-9-11-17(23)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,27)