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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(o-tolyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(o-tolyl)piperazino]ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c1-16-6-2-4-8-18(16)23-10-12-24(13-11-23)21(25)15-26-14-20-22-17-7-3-5-9-19(17)27-20/h2-9H,10-15H2,1H3