3-[[(1S)-1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate

Systemtic Name: 3-[[(1S)-1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: 3-[[(1S)-1-acetamido-2,2,2-trichloro-ethyl]carbamothioylamino]benzoate CAS Name: 3-[[[[(1S)-1-acetamido-2,2,2-trichloroethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(1S)-1-acetamido-2,2,2-trichloroethyl]carbamothioylamino]benzoate Traditional Name: 3-[[(1S)-1-acetamido-2,2,2-trichloro-ethyl]thiocarbamoylamino]benzoate Formula: C12H11Cl3N3O3S- MolecularWeight: 383.65804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C12H12Cl3N3O3S/c1-6(19)16-10(12(13,14)15)18-11(22)17-8-4-2-3-7(5-8)9(20)21/h2-5,10H,1H3,(H,16,19)(H,20,21)(H2,17,18,22)/p-1/t10-/m0/s1