1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 2-[(3-methylbenzyl)thio]-1-(4-piazthiol-4-ylsulfonylpiperazino)ethanone Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H22N4O3S3/c1-15-4-2-5-16(12-15)13-28-14-19(25)23-8-10-24(11-9-23)30(26,27)18-7-3-6-17-20(18)22-29-21-17/h2-7,12H,8-11,13-14H2,1H3