1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(5,6-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=C(C(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C(=C4)C)C

InChI

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