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

Systemtic Name: 1-cyclohexyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea CAS Name: 1-cyclohexyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-cyclohexyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C17H25N4O2S2+ MolecularWeight: 381.536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C17H24N4O2S2/c22-25(23,21-16-10-5-11-18-16)15-9-4-8-14(12-15)20-17(24)19-13-6-2-1-3-7-13/h4,8-9,12-13H,1-3,5-7,10-11H2,(H,18,21)(H2,19,20,24)/p+1