4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C18H26N6O2S2 MolecularWeight: 422.56804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

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