2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-tosylpiperazino)ethanone Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S3/c1-15-6-8-16(9-7-15)29(25,26)23-12-10-22(11-13-23)19(24)14-27-20-21-17-4-2-3-5-18(17)28-20/h2-9H,10-14H2,1H3