2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C)F

InChI

InChI=1S/C21H21ClFN3O2S/c1-12(2)10-26-20(28)15-9-14(22)5-7-17(15)25-21(26)29-11-19(27)24-18-6-4-13(3)8-16(18)23/h4-9,12H,10-11H2,1-3H3,(H,24,27)