4-pyridin-1-ium-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-pyridin-1-ium-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-pyridin-1-ium-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-pyridin-1-iumyl)-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-pyridin-1-ium-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-pyridin-1-ium-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C16H20N5O2S2+ MolecularWeight: 378.4923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H19N5O2S2/c17-25(22,23)14-6-4-13(5-7-14)19-16(24)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,24)(H2,17,22,23)/p+1