3-(3-fluorophenyl)-2-(phenylmethylsulfanyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3-fluorophenyl)-2-(phenylmethylsulfanyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-7-[oxo(1-piperidinyl)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H24FN3O2S MolecularWeight: 473.561763

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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)C5=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H24FN3O2S/c28-21-10-7-11-22(17-21)31-26(33)23-13-12-20(25(32)30-14-5-2-6-15-30)16-24(23)29-27(31)34-18-19-8-3-1-4-9-19/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2