2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C22H23ClFN3O2S MolecularWeight: 447.953323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C)F

InChI

InChI=1S/C22H23ClFN3O2S/c1-13(2)8-9-27-21(29)16-6-5-15(23)11-19(16)26-22(27)30-12-20(28)25-18-7-4-14(3)10-17(18)24/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,28)