2-[(3-bromophenyl)methylsulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3-bromophenyl)methylthio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3-bromobenzyl)thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-25-19-8-3-2-7-18(19)22-9-11-23(12-10-22)20(24)15-26-14-16-5-4-6-17(21)13-16/h2-8,13H,9-12,14-15H2,1H3