1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-piperonyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C19H21N4O4S2+ MolecularWeight: 433.52444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N4O4S2/c24-29(25,23-18-5-2-8-20-18)15-4-1-3-14(10-15)22-19(28)21-11-13-6-7-16-17(9-13)27-12-26-16/h1,3-4,6-7,9-10H,2,5,8,11-12H2,(H,20,23)(H2,21,22,28)/p+1