4-[[[4-(diethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(diethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(diethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(diethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(diethylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H23N3O4S2/c1-3-22(4-2)28(25,26)17-11-9-16(10-12-17)21-19(27)20-13-14-5-7-15(8-6-14)18(23)24/h5-12H,3-4,13H2,1-2H3,(H,23,24)(H2,20,21,27)