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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(4-fluorophenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H23ClFN3O2S MolecularWeight: 508.006823

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=C4Cl)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=C4Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23ClFN3O2S/c28-23-7-3-2-6-19(23)17-35-27-30-24-16-18(25(33)31-14-4-1-5-15-31)8-13-22(24)26(34)32(27)21-11-9-20(29)10-12-21/h2-3,6-13,16H,1,4-5,14-15,17H2