4-[[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c24-19(25)15-5-3-14(4-6-15)12-21-20(29)23-16-7-9-18(10-8-16)30(26,27)22-13-17-2-1-11-28-17/h1-11,22H,12-13H2,(H,24,25)(H2,21,23,29)