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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-(3,4-dimethoxyphenyl)ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-18-8-7-16(13-19(18)28-2)14-22(26)25-11-9-24(10-12-25)15-21-23-17-5-3-4-6-20(17)29-21/h3-8,13H,9-12,14-15H2,1-2H3