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

Systemtic Name: 3-(3-fluorophenyl)-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]-4-quinazolinone IUPAC Name: 2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]-3-(3-fluorophenyl)quinazolin-4-one Formula: C29H28FN3O2S MolecularWeight: 501.614923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

InChI

InChI=1S/C29H28FN3O2S/c1-20(27(34)32-16-14-22(15-17-32)18-21-8-3-2-4-9-21)36-29-31-26-13-6-5-12-25(26)28(35)33(29)24-11-7-10-23(30)19-24/h2-13,19-20,22H,14-18H2,1H3