2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(isoamylcarbamoyl)acetamide 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=C2SCC(=O)NC(=O)NCCC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NCCC(C)C)F

InChI

InChI=1S/C23H25FN4O3S/c1-14(2)10-11-25-22(31)27-20(29)13-32-23-26-19-7-5-4-6-17(19)21(30)28(23)16-9-8-15(3)18(24)12-16/h4-9,12,14H,10-11,13H2,1-3H3,(H2,25,27,29,31)