6-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)hexanamide

Systemtic Name: 6-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)hexanamide Openeye Name: N-benzyl-6-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-hexanamide CAS Name: 6-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]-N-(phenylmethyl)hexanamide IUPAC Name: N-benzyl-6-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylhexanamide Traditional Name: N-benzyl-6-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]hexanamide Formula: C28H26F3N3O2S MolecularWeight: 525.58515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C28H26F3N3O2S/c29-28(30,31)21-12-9-13-22(18-21)34-26(36)23-14-6-7-15-24(23)33-27(34)37-17-8-2-5-16-25(35)32-19-20-10-3-1-4-11-20/h1,3-4,6-7,9-15,18H,2,5,8,16-17,19H2,(H,32,35)