2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4)F

InChI

InChI=1S/C25H26FN3O2S/c1-17-11-12-22(20(26)15-17)27-23(30)16-32-25-28-21-10-6-5-9-19(21)24(31)29(25)14-13-18-7-3-2-4-8-18/h5-7,9-12,15H,2-4,8,13-14,16H2,1H3,(H,27,30)