4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(dimethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O4S2/c1-23(2)31(26,27)18-5-3-4-17(13-18)22-21(30)25-10-8-24(9-11-25)14-16-6-7-19-20(12-16)29-15-28-19/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,30)