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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(o-tolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(2-methylbenzyl)piperazino]ethanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS2/c1-17-6-2-3-7-18(17)14-24-10-12-25(13-11-24)22(26)16-27-15-21-23-19-8-4-5-9-20(19)28-21/h2-9H,10-16H2,1H3