(2R)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-3-4-13-25-20(27)17-7-5-6-8-18(17)24-21(25)28-14(2)19(26)23-16-11-9-15(22)10-12-16/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)/t14-/m1/s1