2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(2,5-dimethoxybenzyl)piperazino]ethanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S2/c1-28-18-7-8-20(29-2)17(13-18)14-25-9-11-26(12-10-25)23(27)16-30-15-22-24-19-5-3-4-6-21(19)31-22/h3-8,13H,9-12,14-16H2,1-2H3