1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-(p-tolylthio)ethanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)C

InChI

InChI=1S/C22H25N3OS2/c1-15-4-7-18(8-5-15)27-14-20(26)24-10-12-25(13-11-24)22-23-21-17(3)16(2)6-9-19(21)28-22/h4-9H,10-14H2,1-3H3