4-methyl-3-[2,2,2-tris(chloranyl)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2,2,2-tris(chloranyl)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[sulfanylidene-[(2,2,2-trichloro-1-oxoethyl)amino]methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(2,2,2-trichloroacetyl)thiocarbamoylamino]benzoic acid Formula: C11H9Cl3N2O3S MolecularWeight: 355.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C11H9Cl3N2O3S/c1-5-2-3-6(8(17)18)4-7(5)15-10(20)16-9(19)11(12,13)14/h2-4H,1H3,(H,17,18)(H2,15,16,19,20)