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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C15H23N4O2S3+ MolecularWeight: 387.56372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S3/c1-23-10-4-9-17-15(22)18-12-5-2-6-13(11-12)24(20,21)19-14-7-3-8-16-14/h2,5-6,11H,3-4,7-10H2,1H3,(H,16,19)(H2,17,18,22)/p+1