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

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C17H29N4O2S2+ MolecularWeight: 385.56776

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2S2/c1-5-21(6-2)25(22,23)15-8-7-14(3)16(13-15)18-17(24)20-11-9-19(4)10-12-20/h7-8,13H,5-6,9-12H2,1-4H3,(H,18,24)/p+1