(4S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide

Systemtic Name: (4S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: (4S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: (4S)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide IUPAC Name: (4S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide Traditional Name: (4S)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carboxamide Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CC(=O)NC4=C3C=CC(=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)[C@H]3CC(=O)NC4=C3C=CC(=C4)F)C

InChI

InChI=1S/C22H19FN4O2S/c1-12-9-13(2)25-22(24-12)30-16-6-4-15(5-7-16)26-21(29)18-11-20(28)27-19-10-14(23)3-8-17(18)19/h3-10,18H,11H2,1-2H3,(H,26,29)(H,27,28)/t18-/m0/s1