4-methylsulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-methylsulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-methylsulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-methylsulfonyl-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-methylsulfonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-mesyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C12H18N4O4S3 MolecularWeight: 378.49072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H18N4O4S3/c1-22(17,18)16-8-6-15(7-9-16)12(21)14-10-2-4-11(5-3-10)23(13,19)20/h2-5H,6-9H2,1H3,(H,14,21)(H2,13,19,20)