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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S3/c1-16-7-8-18(13-17(16)2)31(27,28)25-11-9-24(10-12-25)22(26)15-29-14-21-23-19-5-3-4-6-20(19)30-21/h3-8,13H,9-12,14-15H2,1-2H3