1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-sulfamoyl-phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-sulfamoyl-phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-sulfamoyl-phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-sulfamoylphenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(dimethylamino)-5-sulfamoylphenyl]thiourea Traditional Name: 1-[2-(dimethylamino)-5-sulfamoyl-phenyl]-3-piperonyl-thiourea Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S2/c1-21(2)14-5-4-12(27(18,22)23)8-13(14)20-17(26)19-9-11-3-6-15-16(7-11)25-10-24-15/h3-8H,9-10H2,1-2H3,(H2,18,22,23)(H2,19,20,26)