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

Systemtic Name: (2S)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-propyl-propionamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-3-12-23-19(26)14(2)28-21-24-18-7-5-4-6-17(18)20(27)25(21)13-15-8-10-16(22)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)/t14-/m0/s1