1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H38N5O3S2+ MolecularWeight: 484.69882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H37N5O3S2/c1-3-27(4-2)32(28,29)19-8-9-21(26-12-5-6-13-26)20(18-19)24-22(31)23-10-7-11-25-14-16-30-17-15-25/h8-9,18H,3-7,10-17H2,1-2H3,(H2,23,24,31)/p+1