N-(6-azanylhexyl)-5-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-pentanamide

Systemtic Name: N-(6-azanylhexyl)-5-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-pentanamide Openeye Name: N-(6-aminohexyl)-5-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-pentanamide CAS Name: N-(6-aminohexyl)-5-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]pentanamide IUPAC Name: N-(6-aminohexyl)-5-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpentanamide Traditional Name: N-(6-aminohexyl)-5-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]valeramide Formula: C26H31F3N4O2S MolecularWeight: 520.61015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C26H31F3N4O2S/c27-26(28,29)19-10-9-11-20(18-19)33-24(35)21-12-3-4-13-22(21)32-25(33)36-17-8-5-14-23(34)31-16-7-2-1-6-15-30/h3-4,9-13,18H,1-2,5-8,14-17,30H2,(H,31,34)