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

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propionamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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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)N2CCOC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCOC)F

InChI

InChI=1S/C21H22FN3O3S/c1-13-8-9-15(12-17(13)22)23-19(26)14(2)29-21-24-18-7-5-4-6-16(18)20(27)25(21)10-11-28-3/h4-9,12,14H,10-11H2,1-3H3,(H,23,26)/t14-/m0/s1