1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(3-bromanylphenoxy)ethanone

Systemtic Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(3-bromanylphenoxy)ethanone Openeye Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(3-bromophenoxy)ethanone CAS Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-2-(3-bromophenoxy)ethanone IUPAC Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(3-bromophenoxy)ethanone Traditional Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-2-(3-bromophenoxy)ethanone Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-15(21-23-18-7-2-3-8-19(18)28-21)24-9-11-25(12-10-24)20(26)14-27-17-6-4-5-16(22)13-17/h2-8,13,15H,9-12,14H2,1H3