4-fluoranyl-2-oxidanyl-1-phenyl-4-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-fluoranyl-2-oxidanyl-1-phenyl-4-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one Openeye Name: 4-fluoro-2-hydroxy-1-phenyl-4-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one CAS Name: 4-fluoro-2-hydroxy-1-phenyl-4-[4-[3-(phenylthio)propyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-fluoro-2-hydroxy-1-phenyl-4-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one Traditional Name: 4-fluoro-2-hydroxy-1-phenyl-4-[4-[3-(phenylthio)propyl]piperazino]butan-1-one Formula: C23H29FN2O2S MolecularWeight: 416.551963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=CC=CC=C2)C(CC(C(=O)C3=CC=CC=C3)O)F

Isomeric SMILES

C1CN(CCN1CCCSC2=CC=CC=C2)C(CC(C(=O)C3=CC=CC=C3)O)F

InChI

InChI=1S/C23H29FN2O2S/c24-22(18-21(27)23(28)19-8-3-1-4-9-19)26-15-13-25(14-16-26)12-7-17-29-20-10-5-2-6-11-20/h1-6,8-11,21-22,27H,7,12-18H2