6-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)hexanamide

Systemtic Name: 6-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)hexanamide Openeye Name: N-(1,2-dimethylpropyl)-6-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-hexanamide CAS Name: 6-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methylbutan-2-yl)hexanamide IUPAC Name: 6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)hexanamide Traditional Name: N-(1,2-dimethylpropyl)-6-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]hexanamide Formula: C25H30FN3O2S MolecularWeight: 455.588003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C)NC(=O)CCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F

InChI

InChI=1S/C25H30FN3O2S/c1-17(2)18(3)27-23(30)11-5-4-8-16-32-25-28-22-10-7-6-9-21(22)24(31)29(25)20-14-12-19(26)13-15-20/h6-7,9-10,12-15,17-18H,4-5,8,11,16H2,1-3H3,(H,27,30)