5-bromanyl-2-(ethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(ethanoylcarbamothioylamino)benzoic acid Openeye Name: 2-(acetylcarbamothioylamino)-5-bromo-benzoic acid CAS Name: 2-[[acetamido(sulfanylidene)methyl]amino]-5-bromobenzoic acid IUPAC Name: 2-(acetylcarbamothioylamino)-5-bromobenzoic acid Traditional Name: 2-(acetylthiocarbamoylamino)-5-bromo-benzoic acid Formula: C10H9BrN2O3S MolecularWeight: 317.15906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrN2O3S/c1-5(14)12-10(17)13-8-3-2-6(11)4-7(8)9(15)16/h2-4H,1H3,(H,15,16)(H2,12,13,14,17)