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

Systemtic Name: 4-[[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H23N3O4S2/c27-22(28)19-8-6-18(7-9-19)16-24-23(31)26-20-10-12-21(13-11-20)32(29,30)25-15-14-17-4-2-1-3-5-17/h1-13,25H,14-16H2,(H,27,28)(H2,24,26,31)