4-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylamino]-2-oxidanyl-benzoate

Systemtic Name: 4-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylamino]benzoate CAS Name: 2-hydroxy-4-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylamino]benzoate IUPAC Name: 2-hydroxy-4-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methylamino]benzoate Traditional Name: 2-hydroxy-4-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylamino]benzoate Formula: C16H14N3O3S- MolecularWeight: 328.36566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=S)N2)CNC3=CC(=C(C=C3)C(=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=S)N2)CNC3=CC(=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C16H15N3O3S/c1-9-2-5-13-12(6-9)18-16(23)19(13)8-17-10-3-4-11(15(21)22)14(20)7-10/h2-7,17,20H,8H2,1H3,(H,18,23)(H,21,22)/p-1