N-(4-sulfamoylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-sulfamoylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-sulfamoylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-sulfamoylphenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-sulfamoylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-sulfamoylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C18H27N6O2S2+ MolecularWeight: 423.57598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H26N6O2S2/c1-13-17(14(2)22(3)21-13)12-23-8-10-24(11-9-23)18(27)20-15-4-6-16(7-5-15)28(19,25)26/h4-7H,8-12H2,1-3H3,(H,20,27)(H2,19,25,26)/p+1