4-[(E)-3-phenylprop-2-enyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(E)-3-phenylprop-2-enyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C24H27N6O2S2+ MolecularWeight: 495.64018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C24H26N6O2S2/c31-34(32,28-23-25-13-5-14-26-23)22-11-9-21(10-12-22)27-24(33)30-18-16-29(17-19-30)15-4-8-20-6-2-1-3-7-20/h1-14H,15-19H2,(H,27,33)(H,25,26,28)/p+1/b8-4+