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

Systemtic Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone Openeye Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone CAS Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-2-(2-methylphenoxy)ethanone IUPAC Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone Traditional Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-2-(2-methylphenoxy)ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-16-7-3-5-9-19(16)27-15-21(26)25-13-11-24(12-14-25)17(2)22-23-18-8-4-6-10-20(18)28-22/h3-10,17H,11-15H2,1-2H3