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

Systemtic Name: 2-(2,4-dimethylphenyl)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(2,4-dimethylphenyl)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(2,4-dimethylphenyl)-1-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,4-dimethylphenyl)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(2,4-dimethylphenyl)-1-[4-[4-(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=CC=C4SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC)C

InChI

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