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

Systemtic Name: 3-[[(1S)-1-benzamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: 3-[[(1S)-1-benzamido-2,2,2-trichloro-ethyl]carbamothioylamino]benzoate CAS Name: 3-[[[[(1S)-1-benzamido-2,2,2-trichloroethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(1S)-1-benzamido-2,2,2-trichloroethyl]carbamothioylamino]benzoate Traditional Name: 3-[[(1S)-1-benzamido-2,2,2-trichloro-ethyl]thiocarbamoylamino]benzoate Formula: C17H13Cl3N3O3S- MolecularWeight: 445.72742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C17H14Cl3N3O3S/c18-17(19,20)15(22-13(24)10-5-2-1-3-6-10)23-16(27)21-12-8-4-7-11(9-12)14(25)26/h1-9,15H,(H,22,24)(H,25,26)(H2,21,23,27)/p-1/t15-/m0/s1