N-[[1-(dimethylsulfamoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzenecarbothioamide

Systemtic Name: N-[[1-(dimethylsulfamoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzenecarbothioamide Openeye Name: N-[[1-(dimethylsulfamoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzenecarbothioamide CAS Name: N-[[1-(dimethylsulfamoyl)-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzenecarbothioamide IUPAC Name: N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzenecarbothioamide Traditional Name: N-[[1-(dimethylsulfamoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-thiobenzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCC(CC1)(CNC(=S)C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCC(CC1)(CNC(=S)C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-24(2)30(26,27)25-15-13-22(14-16-25,18-9-5-4-6-10-18)17-23-21(29)19-11-7-8-12-20(19)28-3/h4-12H,13-17H2,1-3H3,(H,23,29)