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

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(E)-3-phenylprop-2-enyl]-N-(4-sulfamoylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S2/c21-28(25,26)19-10-8-18(9-11-19)22-20(27)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,22,27)(H2,21,25,26)/p+1/b7-4+