1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylmethoxy-propane-2-thiol dihydrochloride

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylmethoxy-propane-2-thiol dihydrochloride Openeye Name: 1-benzyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propane-2-thiol dihydrochloride CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-phenylmethoxy-2-propanethiol dihydrochloride IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropane-2-thiol dihydrochloride Traditional Name: 1-benzoxy-3-[4-(4-fluorophenyl)piperazino]propane-2-thiol dihydrochloride Formula: C20H27Cl2FN2OS MolecularWeight: 433.410583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=CC=C2)S)C3=CC=C(C=C3)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC=CC=C2)S)C3=CC=C(C=C3)F.Cl.Cl

InChI

InChI=1S/C20H25FN2OS.2ClH/c21-18-6-8-19(9-7-18)23-12-10-22(11-13-23)14-20(25)16-24-15-17-4-2-1-3-5-17;;/h1-9,20,25H,10-16H2;2*1H