1-(4-fluorophenyl)-4-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(CSC3=CC=CC=C3)O

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(CSC3=CC=CC=C3)O

InChI

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