ethyl 4-[[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(diethylsulfamoyl)-4-nitro-anilino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(diethylsulfamoyl)-4-nitrophenyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(diethylsulfamoyl)-4-nitroanilino]carbamothioylamino]benzoate Traditional Name: 4-[[2-(diethylsulfamoyl)-4-nitro-anilino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H25N5O6S2 MolecularWeight: 495.5724

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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)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H25N5O6S2/c1-4-24(5-2)33(29,30)18-13-16(25(27)28)11-12-17(18)22-23-20(32)21-15-9-7-14(8-10-15)19(26)31-6-3/h7-13,22H,4-6H2,1-3H3,(H2,21,23,32)