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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-(2-furfuryl)-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C16H19N4O3S2+ MolecularWeight: 379.47706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C16H18N4O3S2/c21-25(22,20-15-7-2-8-17-15)14-6-1-4-12(10-14)19-16(24)18-11-13-5-3-9-23-13/h1,3-6,9-10H,2,7-8,11H2,(H,17,20)(H2,18,19,24)/p+1