4-chloranyl-3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 4-chloro-3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid CAS Name: 4-chloro-3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 4-chloro-3-(pivaloylthiocarbamoylamino)benzoic acid Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3S/c1-13(2,3)11(19)16-12(20)15-9-6-7(10(17)18)4-5-8(9)14/h4-6H,1-3H3,(H,17,18)(H2,15,16,19,20)