2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O3S/c1-26-18-6-4-17(5-7-18)23-9-11-24(12-10-23)21(25)15-28-14-16-3-8-20(27-2)19(22)13-16/h3-8,13H,9-12,14-15H2,1-2H3