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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-propan-2-yl-thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-isopropyl-thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-propan-2-ylthiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-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:

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

Isomeric SMILES

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

InChI

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