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

Systemtic Name: 1-[4-(1,2-benzothiazol-3-ylcarbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-[1,2-benzothiazol-3-yl(oxo)methyl]-1-piperazinyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazino]-2-(3-methylphenoxy)ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3S/c1-15-5-4-6-16(13-15)27-14-19(25)23-9-11-24(12-10-23)21(26)20-17-7-2-3-8-18(17)28-22-20/h2-8,13H,9-12,14H2,1H3