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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3Br

InChI

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