(2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]propanamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-[(4-keto-1H-quinazolin-2-yl)thio]propionamide Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC(=O)C3=CC=CC=C3N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=NC(=O)C3=CC=CC=C3N2)F

InChI

InChI=1S/C18H16FN3O2S/c1-10-7-8-12(9-14(10)19)20-16(23)11(2)25-18-21-15-6-4-3-5-13(15)17(24)22-18/h3-9,11H,1-2H3,(H,20,23)(H,21,22,24)/t11-/m0/s1