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

Systemtic Name: 6-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentyl-hexanamide Openeye Name: 6-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-pentyl-hexanamide CAS Name: 6-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentylhexanamide IUPAC Name: 6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentylhexanamide Traditional Name: N-amyl-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:

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

Isomeric SMILES

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

InChI

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