1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-2-ol

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-2-ol Openeye Name: 1-benzylsulfanyl-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(phenylmethylthio)-2-propanol IUPAC Name: 1-benzylsulfanyl-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol Traditional Name: 1-(benzylthio)-3-[4-[bis(4-fluorophenyl)methyl]piperazino]propan-2-ol Formula: C27H30F2N2OS MolecularWeight: 468.601706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSCC2=CC=CC=C2)O)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC(CSCC2=CC=CC=C2)O)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H30F2N2OS/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)31-16-14-30(15-17-31)18-26(32)20-33-19-21-4-2-1-3-5-21/h1-13,26-27,32H,14-20H2