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

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H36N5O3S2+ MolecularWeight: 470.67224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O3S2/c1-3-26(4-2)31(27,28)18-7-8-20(25-10-5-6-11-25)19(17-18)23-21(30)22-9-12-24-13-15-29-16-14-24/h7-8,17H,3-6,9-16H2,1-2H3,(H2,22,23,30)/p+1