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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(2-nitro-4-sulfamoyl-anilino)thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-(2-nitro-4-sulfamoylanilino)thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(2-nitro-4-sulfamoylanilino)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(2-nitro-4-sulfamoyl-anilino)thiourea Formula: C13H21N6O5S2+ MolecularWeight: 405.47304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H20N6O5S2/c14-26(22,23)10-1-2-11(12(9-10)19(20)21)16-17-13(25)15-3-4-18-5-7-24-8-6-18/h1-2,9,16H,3-8H2,(H2,14,22,23)(H2,15,17,25)/p+1