4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide

Systemtic Name: 4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide Openeye Name: 4-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)butanamide CAS Name: 4-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)butanamide IUPAC Name: 4-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide Traditional Name: 4-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(p-tolyl)butyramide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-17-11-13-19(14-12-17)27-23(30)10-5-15-32-25-28-22-9-3-2-8-21(22)24(31)29(25)20-7-4-6-18(26)16-20/h2-4,6-9,11-14,16H,5,10,15H2,1H3,(H,27,30)