4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C17H24N6O2S2 MolecularWeight: 408.54146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C17H24N6O2S2/c1-13-14(11-21(2)20-13)12-22-7-9-23(10-8-22)17(26)19-15-3-5-16(6-4-15)27(18,24)25/h3-6,11H,7-10,12H2,1-2H3,(H,19,26)(H2,18,24,25)