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

Systemtic Name: 3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-(o-tolylmethylsulfanyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[(2-methylphenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[(2-methylbenzyl)thio]-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCCC4)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26FN3O2S/c1-19-7-3-4-8-21(19)18-35-28-30-25-17-20(26(33)31-15-5-2-6-16-31)9-14-24(25)27(34)32(28)23-12-10-22(29)11-13-23/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3