4-(2,5-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C21H28N4O4S3 MolecularWeight: 496.66642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H28N4O4S3/c1-16-8-9-17(2)20(14-16)32(28,29)25-12-10-24(11-13-25)21(30)22-18-6-5-7-19(15-18)31(26,27)23(3)4/h5-9,14-15H,10-13H2,1-4H3,(H,22,30)