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

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-tosyl-piperazine-1-carbothioamide Formula: C20H26N4O4S3 MolecularWeight: 482.63984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S3/c1-16-7-9-18(10-8-16)31(27,28)24-13-11-23(12-14-24)20(29)21-17-5-4-6-19(15-17)30(25,26)22(2)3/h4-10,15H,11-14H2,1-3H3,(H,21,29)