3-(4-fluorophenyl)-2-(phenylmethylsulfanyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-(phenylmethylsulfanyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-7-[oxo(1-piperidinyl)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H24FN3O2S MolecularWeight: 473.561763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN3O2S/c28-21-10-12-22(13-11-21)31-26(33)23-14-9-20(25(32)30-15-5-2-6-16-30)17-24(23)29-27(31)34-18-19-7-3-1-4-8-19/h1,3-4,7-14,17H,2,5-6,15-16,18H2