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

Systemtic Name: 3-[4-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-oxomethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H22F3N3O3S MolecularWeight: 525.54209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C27H22F3N3O3S/c28-27(29,30)19-5-3-4-18(16-19)26(36)12-14-32(15-13-26)23(34)17-8-10-20(11-9-17)33-24(35)21-6-1-2-7-22(21)31-25(33)37/h1-11,16,36H,12-15H2,(H,31,37)