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

Systemtic Name: 3-[4-oxidanylidene-4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-oxo-4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-oxo-4-[4-[2-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-oxo-4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-[2-(trifluoromethyl)phenyl]piperazino]butyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H23F3N4O2S MolecularWeight: 476.51453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H23F3N4O2S/c24-23(25,26)17-7-2-4-9-19(17)28-12-14-29(15-13-28)20(31)10-5-11-30-21(32)16-6-1-3-8-18(16)27-22(30)33/h1-4,6-9H,5,10-15H2,(H,27,33)