4-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]hydrazino]benzoic acid CAS Name: 4-[[[5-(diethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamothioyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[[5-(diethylsulfamoyl)-2-methyl-phenyl]thiocarbamoyl]hydrazino]benzoic acid Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H24N4O4S2/c1-4-23(5-2)29(26,27)16-11-6-13(3)17(12-16)20-19(28)22-21-15-9-7-14(8-10-15)18(24)25/h6-12,21H,4-5H2,1-3H3,(H,24,25)(H2,20,22,28)