3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Formula: C19H22N3O2S3+ MolecularWeight: 420.59188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C19H21N3O2S3/c1-15-6-8-16(9-7-15)27(23,24)21-12-10-20(11-13-21)14-22-17-4-2-3-5-18(17)26-19(22)25/h2-9H,10-14H2,1H3/p+1