2-chloranyl-5-(3-methylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(3-methylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 2-chloro-5-(3-methylbutanoylcarbamothioylamino)benzoic acid CAS Name: 2-chloro-5-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-(3-methylbutanoylcarbamothioylamino)benzoic acid Traditional Name: 2-chloro-5-(isovalerylthiocarbamoylamino)benzoic acid Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3S/c1-7(2)5-11(17)16-13(20)15-8-3-4-10(14)9(6-8)12(18)19/h3-4,6-7H,5H2,1-2H3,(H,18,19)(H2,15,16,17,20)