4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-3-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)C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

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