3-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H23F2N3O2S MolecularWeight: 491.552226

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=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H23F2N3O2S/c28-20-7-4-18(5-8-20)17-35-27-30-24-16-19(25(33)31-14-2-1-3-15-31)6-13-23(24)26(34)32(27)22-11-9-21(29)10-12-22/h4-13,16H,1-3,14-15,17H2