3-[6-oxidanylidene-6-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-oxidanylidene-6-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H28F3N3O3S MolecularWeight: 519.57903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C26H28F3N3O3S/c27-26(28,29)19-8-6-7-18(17-19)25(35)12-15-31(16-13-25)22(33)11-2-1-5-14-32-23(34)20-9-3-4-10-21(20)30-24(32)36/h3-4,6-10,17,35H,1-2,5,11-16H2,(H,30,36)