4-[[(5-bromanyl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-bromanyl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-bromo-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid Formula: C15H11BrN2O2S MolecularWeight: 363.22904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC3=C(S2)C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC3=C(S2)C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C15H11BrN2O2S/c16-11-5-6-13-12(7-11)18-15(21-13)17-8-9-1-3-10(4-2-9)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)