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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethyl-thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethyl-thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethylthiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-ethylthiourea Traditional Name: 1-ethyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C13H19N4O2S2+ MolecularWeight: 327.44556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S2/c1-2-14-13(20)16-10-5-3-6-11(9-10)21(18,19)17-12-7-4-8-15-12/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,17)(H2,14,16,20)/p+1