4-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoic acid Openeye Name: 4-[(1-acetamido-2,2,2-trichloro-ethyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(1-acetamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(1-acetamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]benzoic acid Formula: C12H12Cl3N3O3S MolecularWeight: 384.66598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl3N3O3S/c1-6(19)16-10(12(13,14)15)18-11(22)17-8-4-2-7(3-5-8)9(20)21/h2-5,10H,1H3,(H,16,19)(H,20,21)(H2,17,18,22)