(2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC=C)F

InChI

InChI=1S/C21H20FN3O2S/c1-4-11-25-20(27)16-7-5-6-8-18(16)24-21(25)28-14(3)19(26)23-15-10-9-13(2)17(22)12-15/h4-10,12,14H,1,11H2,2-3H3,(H,23,26)/t14-/m0/s1