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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(o-tolylsulfanyl)ethanone CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-[(2-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2-methylphenyl)sulfanylethanone Traditional Name: 2-(o-tolylthio)-1-(4-piazthiol-4-ylsulfonylpiperazino)ethanone Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N4O3S3/c1-14-5-2-3-7-16(14)27-13-18(24)22-9-11-23(12-10-22)29(25,26)17-8-4-6-15-19(17)21-28-20-15/h2-8H,9-13H2,1H3