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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-piperonyl-thiourea Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O4S2/c1-20(2)26(21,22)14-5-3-4-13(9-14)19-17(25)18-10-12-6-7-15-16(8-12)24-11-23-15/h3-9H,10-11H2,1-2H3,(H2,18,19,25)