4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-tosyl-piperazin-4-ium-1-carbothioamide Formula: C13H20N3O2S2+ MolecularWeight: 314.4468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19N3O2S2/c1-11-3-5-12(6-4-11)20(17,18)14-13(19)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,19)/p+1