[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(4-piperonylpiperazin-4-ium-1-carbothioyl)amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C23H24N6O4S2 MolecularWeight: 512.60446

Click to see the large picture

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)[N-]C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=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,(H2,24,25,26,27,34)