3-[(2-fluorophenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-fluorophenyl)methylthio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(2-fluorobenzyl)thio]-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O2S/c1-26-19-8-6-18(7-9-19)23-11-13-24(14-12-23)21(25)10-15-27-16-17-4-2-3-5-20(17)22/h2-9H,10-16H2,1H3