3-(2-fluorophenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-fluorophenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one CAS Name: 3-(2-fluorophenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(2-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-(2-fluorophenyl)quinazolin-4-one Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

InChI

InChI=1S/C28H26FN3O2S/c29-23-11-5-7-13-25(23)32-27(34)22-10-4-6-12-24(22)30-28(32)35-19-26(33)31-16-14-21(15-17-31)18-20-8-2-1-3-9-20/h1-13,21H,14-19H2