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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

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