1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]-2-[(4-methylsulfanylphenyl)amino]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]-2-[(4-methylsulfanylphenyl)amino]benzimidazole-5-carboxylic acid Openeye Name: 1-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-(4-methylsulfanylanilino)benzimidazole-5-carboxylic acid CAS Name: 1-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-[4-(methylthio)anilino]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-(4-methylsulfanylanilino)benzimidazole-5-carboxylic acid Traditional Name: 1-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-[4-(methylthio)anilino]benzimidazole-5-carboxylic acid Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC5=C(C=C4)N=C(S5)N)C=CC(=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC5=C(C=C4)N=C(S5)N)C=CC(=C3)C(=O)O

InChI

InChI=1S/C23H19N5O2S2/c1-31-16-6-4-15(5-7-16)25-23-27-18-11-14(21(29)30)3-9-19(18)28(23)12-13-2-8-17-20(10-13)32-22(24)26-17/h2-11H,12H2,1H3,(H2,24,26)(H,25,27)(H,29,30)