2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-fluorophenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(4-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H28FN3O2S MolecularWeight: 501.614923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C29H28FN3O2S/c1-19-6-7-20(2)22(16-19)18-36-29-31-26-17-21(27(34)32-14-4-3-5-15-32)8-13-25(26)28(35)33(29)24-11-9-23(30)10-12-24/h6-13,16-17H,3-5,14-15,18H2,1-2H3