1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[2-methyl-2-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Formula: C17H29N4O3S2+ MolecularWeight: 401.56716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)[NH+]2CCOCC2

InChI

InChI=1S/C17H28N4O3S2/c1-17(2,21-8-10-24-11-9-21)13-18-16(25)19-14-6-5-7-15(12-14)26(22,23)20(3)4/h5-7,12H,8-11,13H2,1-4H3,(H2,18,19,25)/p+1