1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea Traditional Name: 1-cyclopentyl-3-[3-(dimethylsulfamoyl)phenyl]-1-piperonyl-thiourea Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H27N3O4S2/c1-24(2)31(26,27)19-9-5-6-17(13-19)23-22(30)25(18-7-3-4-8-18)14-16-10-11-20-21(12-16)29-15-28-20/h5-6,9-13,18H,3-4,7-8,14-15H2,1-2H3,(H,23,30)