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

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-naphthalen-1-ylsulfanyl-propan-2-ol dihydrochloride Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(1-naphthylsulfanyl)propan-2-ol dihydrochloride CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(1-naphthalenylthio)-2-propanol dihydrochloride IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-naphthalen-1-ylsulfanylpropan-2-ol dihydrochloride Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-(1-naphthylthio)propan-2-ol dihydrochloride Formula: C30H32Cl2F2N2OS MolecularWeight: 577.555686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=CC=CC3=CC=CC=C32)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(CSC2=CC=CC3=CC=CC=C32)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.Cl.Cl

InChI

InChI=1S/C30H30F2N2OS.2ClH/c31-25-12-8-23(9-13-25)30(24-10-14-26(32)15-11-24)34-18-16-33(17-19-34)20-27(35)21-36-29-7-3-5-22-4-1-2-6-28(22)29;;/h1-15,27,30,35H,16-21H2;2*1H