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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-propyl-thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-propyl-thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-propylthiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-propylthiourea Traditional Name: 1-propyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C14H21N4O2S2+ MolecularWeight: 341.47214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S2/c1-2-8-16-14(21)17-11-5-3-6-12(10-11)22(19,20)18-13-7-4-9-15-13/h3,5-6,10H,2,4,7-9H2,1H3,(H,15,18)(H2,16,17,21)/p+1