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

Systemtic Name: (2S)-N-(tert-butylcarbamoyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(tert-butylcarbamoyl)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-[(tert-butylamino)-oxomethyl]-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(tert-butylcarbamoyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(tert-butylcarbamoyl)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)NC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)F

InChI

InChI=1S/C23H25FN4O3S/c1-13-10-11-15(12-17(13)24)28-20(30)16-8-6-7-9-18(16)25-22(28)32-14(2)19(29)26-21(31)27-23(3,4)5/h6-12,14H,1-5H3,(H2,26,27,29,31)/t14-/m0/s1