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

Systemtic Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[4-(1,2-benzothiazol-3-yl)piperazino]-2-(3,4-dimethoxyphenyl)ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-17-8-7-15(13-18(17)27-2)14-20(25)23-9-11-24(12-10-23)21-16-5-3-4-6-19(16)28-22-21/h3-8,13H,9-12,14H2,1-2H3