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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C17H27N5O3S2+2 MolecularWeight: 413.55798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H25N5O3S2/c23-27(24,21-16-5-2-6-18-16)15-4-1-3-14(13-15)20-17(26)19-7-8-22-9-11-25-12-10-22/h1,3-4,13H,2,5-12H2,(H,18,21)(H2,19,20,26)/p+2