N-[3-(dimethylsulfamoyl)phenyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-besyl-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C19H24N4O4S3 MolecularWeight: 468.61326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S3/c1-21(2)29(24,25)18-10-6-7-16(15-18)20-19(28)22-11-13-23(14-12-22)30(26,27)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3,(H,20,28)