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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H23ClFN3O2S/c28-20-6-4-5-18(15-20)17-35-27-30-24-16-19(25(33)31-13-2-1-3-14-31)7-12-23(24)26(34)32(27)22-10-8-21(29)9-11-22/h4-12,15-16H,1-3,13-14,17H2