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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-ethylphenyl)thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-ethylphenyl)thiourea Traditional Name: 1-(3-ethylphenyl)-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C19H22N4O2S2/c1-2-14-6-3-7-15(12-14)21-19(26)22-16-8-4-9-17(13-16)27(24,25)23-18-10-5-11-20-18/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,20,23)(H2,21,22,26)/p+1