2-[4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]acetic acid Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C20H23N3O5S2/c24-19(25)12-14-3-5-15(6-4-14)22-20(29)23-16-7-9-18(10-8-16)30(26,27)21-13-17-2-1-11-28-17/h3-10,17,21H,1-2,11-13H2,(H,24,25)(H2,22,23,29)