1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C17H29N6O5S2+ MolecularWeight: 461.57936

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C17H28N6O5S2/c1-3-22(4-2)30(26,27)16-13-14(23(24)25)5-6-15(16)19-20-17(29)18-7-8-21-9-11-28-12-10-21/h5-6,13,19H,3-4,7-12H2,1-2H3,(H2,18,20,29)/p+1