1-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H29N4O4S2+ MolecularWeight: 417.56656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCC[NH+]2CCOCC2)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCC[NH+]2CCOCC2)OC

InChI

InChI=1S/C17H28N4O4S2/c1-20(2)27(22,23)16-13-14(5-6-15(16)24-3)19-17(26)18-7-4-8-21-9-11-25-12-10-21/h5-6,13H,4,7-12H2,1-3H3,(H2,18,19,26)/p+1