2-[methyl-[3-(2-sulfanylidene-3H-benzimidazol-1-yl)phenyl]amino]-3-(methylsulfonylamino)propanoic acid

Systemtic Name: 2-[methyl-[3-(2-sulfanylidene-3H-benzimidazol-1-yl)phenyl]amino]-3-(methylsulfonylamino)propanoic acid Openeye Name: 3-(methanesulfonamido)-2-[N-methyl-3-(2-thioxo-3H-benzimidazol-1-yl)anilino]propanoic acid CAS Name: 3-(methanesulfonamido)-2-[N-methyl-3-(2-sulfanylidene-3H-benzimidazol-1-yl)anilino]propanoic acid IUPAC Name: 3-(methanesulfonamido)-2-[N-methyl-3-(2-sulfanylidene-3H-benzimidazol-1-yl)anilino]propanoic acid Traditional Name: 3-(methanesulfonamido)-2-[N-methyl-3-(2-thioxo-3H-benzimidazol-1-yl)anilino]propionic acid Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)N2C3=CC=CC=C3NC2=S)C(CNS(=O)(=O)C)C(=O)O

Isomeric SMILES

CN(C1=CC=CC(=C1)N2C3=CC=CC=C3NC2=S)C(CNS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C18H20N4O4S2/c1-21(16(17(23)24)11-19-28(2,25)26)12-6-5-7-13(10-12)22-15-9-4-3-8-14(15)20-18(22)27/h3-10,16,19H,11H2,1-2H3,(H,20,27)(H,23,24)