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

Systemtic Name: 1-butyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-butyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea CAS Name: 1-butyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea IUPAC Name: 1-butyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-butyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C15H23N4O2S2+ MolecularWeight: 355.49872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2

Isomeric SMILES

CCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2

InChI

InChI=1S/C15H22N4O2S2/c1-2-3-9-17-15(22)18-12-6-4-7-13(11-12)23(20,21)19-14-8-5-10-16-14/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,16,19)(H2,17,18,22)/p+1