2-(2,4-dimethylphenyl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,4-dimethylphenyl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(2,4-dimethylphenyl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(2,4-dimethylphenyl)-1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,4-dimethylphenyl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(2,4-dimethylphenyl)-1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]ethanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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