4-methyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-(4-sulfamoylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Formula: C12H19N4O2S2+ MolecularWeight: 315.43486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H18N4O2S2/c1-15-6-8-16(9-7-15)12(19)14-10-2-4-11(5-3-10)20(13,17)18/h2-5H,6-9H2,1H3,(H,14,19)(H2,13,17,18)/p+1