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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C14H19N4O2S2+ MolecularWeight: 339.45626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S2/c1-2-8-16-14(21)17-11-5-3-6-12(10-11)22(19,20)18-13-7-4-9-15-13/h2-3,5-6,10H,1,4,7-9H2,(H,15,18)(H2,16,17,21)/p+1