3,5-bis(chloranyl)-2-(2-methylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-(2-methylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 3,5-dichloro-2-(2-methylpropanoylcarbamothioylamino)benzoic acid CAS Name: 3,5-dichloro-2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-(2-methylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 3,5-dichloro-2-(isobutyrylthiocarbamoylamino)benzoic acid Formula: C12H12Cl2N2O3S MolecularWeight: 335.20628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2O3S/c1-5(2)10(17)16-12(20)15-9-7(11(18)19)3-6(13)4-8(9)14/h3-5H,1-2H3,(H,18,19)(H2,15,16,17,20)