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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C18H20FN4O2S2+ MolecularWeight: 407.505403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4O2S2/c19-14-8-6-13(7-9-14)12-21-18(26)22-15-3-1-4-16(11-15)27(24,25)23-17-5-2-10-20-17/h1,3-4,6-9,11H,2,5,10,12H2,(H,20,23)(H2,21,22,26)/p+1