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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3OS2/c1-16-6-5-8-19(17(16)2)24-10-12-25(13-11-24)22(26)15-27-14-21-23-18-7-3-4-9-20(18)28-21/h3-9H,10-15H2,1-2H3