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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)F

InChI

InChI=1S/C18H19FN4O2S2/c1-12-7-8-14(11-16(12)19)22-18(26)21-13-4-2-5-15(10-13)27(24,25)23-17-6-3-9-20-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23)(H2,21,22,26)/p+1