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

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H23FN4O4S3 MolecularWeight: 486.603723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN4O4S3/c1-22(2)30(25,26)18-5-3-4-16(14-18)21-19(29)23-10-12-24(13-11-23)31(27,28)17-8-6-15(20)7-9-17/h3-9,14H,10-13H2,1-2H3,(H,21,29)