2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylsulfanyl-1,3-benzothiazole

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylsulfanyl-1,3-benzothiazole Openeye Name: 6-methylsulfanyl-2-[4-(p-tolylsulfonyl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-(methylthio)-1,3-benzothiazole IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylsulfanyl-1,3-benzothiazole Traditional Name: 6-(methylthio)-2-(4-tosylpiperazino)-1,3-benzothiazole Formula: C19H21N3O2S3 MolecularWeight: 419.58394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C19H21N3O2S3/c1-14-3-6-16(7-4-14)27(23,24)22-11-9-21(10-12-22)19-20-17-8-5-15(25-2)13-18(17)26-19/h3-8,13H,9-12H2,1-2H3