[3-[[[4-[(5-iodanylpyridin-2-yl)methyl]-4-methyl-piperazin-4-ium-1-yl]carbothioylamino]methyl]phenyl]sulfonylazanide

Systemtic Name: [3-[[[4-[(5-iodanylpyridin-2-yl)methyl]-4-methyl-piperazin-4-ium-1-yl]carbothioylamino]methyl]phenyl]sulfonylazanide Openeye Name: [3-[[[4-[(5-iodo-2-pyridyl)methyl]-4-methyl-piperazin-4-ium-1-carbothioyl]amino]methyl]phenyl]sulfonylazanide CAS Name: [3-[[[[4-[(5-iodo-2-pyridinyl)methyl]-4-methyl-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]methyl]phenyl]sulfonylazanide IUPAC Name: [3-[[[4-[(5-iodopyridin-2-yl)methyl]-4-methylpiperazin-4-ium-1-carbothioyl]amino]methyl]phenyl]sulfonylazanide Traditional Name: [3-[[[4-[(5-iodo-2-pyridyl)methyl]-4-methyl-piperazin-4-ium-1-carbothioyl]amino]methyl]phenyl]sulfonylazanide Formula: C19H24IN5O2S2 MolecularWeight: 545.46063

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=S)NCC2=CC(=CC=C2)S(=O)(=O)[NH-])CC3=NC=C(C=C3)I

Isomeric SMILES

C[N+]1(CCN(CC1)C(=S)NCC2=CC(=CC=C2)S(=O)(=O)[NH-])CC3=NC=C(C=C3)I

InChI

InChI=1S/C19H24IN5O2S2/c1-25(14-17-6-5-16(20)13-22-17)9-7-24(8-10-25)19(28)23-12-15-3-2-4-18(11-15)29(21,26)27/h2-6,11,13H,7-10,12,14H2,1H3,(H2-,21,23,26,27,28)