1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-ethylphenoxy)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

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