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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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