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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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