N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]piperazin-4-ium-1-carbothioamide Formula: C25H35N4O2S2+ MolecularWeight: 487.701

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S2/c1-4-29(5-2)33(30,31)23-14-13-21(3)24(20-23)26-25(32)28-18-16-27(17-19-28)15-9-12-22-10-7-6-8-11-22/h6-14,20H,4-5,15-19H2,1-3H3,(H,26,32)/p+1/b12-9+