2-[[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-1,3-benzothiazole Formula: C24H25N4O2S3+ MolecularWeight: 497.6759

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4O2S3/c29-33(30,28-14-12-27(13-15-28)17-19-6-2-1-3-7-19)20-10-11-23(25-16-20)31-18-24-26-21-8-4-5-9-22(21)32-24/h1-11,16H,12-15,17-18H2/p+1