5-bromanyl-2-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 5-bromo-2-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid CAS Name: 5-bromo-2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 5-bromo-2-(pivaloylthiocarbamoylamino)benzoic acid Formula: C13H15BrN2O3S MolecularWeight: 359.2388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H15BrN2O3S/c1-13(2,3)11(19)16-12(20)15-9-5-4-7(14)6-8(9)10(17)18/h4-6H,1-3H3,(H,17,18)(H2,15,16,19,20)