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

Systemtic Name: 3-[6-oxidanylidene-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-[4-(trifluoromethyl)phenyl]piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H27F3N4O2S MolecularWeight: 504.56769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H27F3N4O2S/c26-25(27,28)18-9-11-19(12-10-18)30-14-16-31(17-15-30)22(33)8-2-1-5-13-32-23(34)20-6-3-4-7-21(20)29-24(32)35/h3-4,6-7,9-12H,1-2,5,8,13-17H2,(H,29,35)