4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-piperonyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C23H25N6O4S2+ MolecularWeight: 513.6124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C23H24N6O4S2/c30-35(31,27-22-24-8-1-9-25-22)19-5-3-18(4-6-19)26-23(34)29-12-10-28(11-13-29)15-17-2-7-20-21(14-17)33-16-32-20/h1-9,14H,10-13,15-16H2,(H,26,34)(H,24,25,27)/p+1