4-chloranyl-3-(ethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(ethanoylcarbamothioylamino)benzoic acid Openeye Name: 3-(acetylcarbamothioylamino)-4-chloro-benzoic acid CAS Name: 3-[[acetamido(sulfanylidene)methyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-(acetylcarbamothioylamino)-4-chlorobenzoic acid Traditional Name: 3-(acetylthiocarbamoylamino)-4-chloro-benzoic acid Formula: C10H9ClN2O3S MolecularWeight: 272.70806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClN2O3S/c1-5(14)12-10(17)13-8-4-6(9(15)16)2-3-7(8)11/h2-4H,1H3,(H,15,16)(H2,12,13,14,17)