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

Systemtic Name: 2-[[1-benzamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoic acid Openeye Name: 2-[(1-benzamido-2,2,2-trichloro-ethyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[(1-benzamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(1-benzamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]benzoic acid Formula: C17H14Cl3N3O3S MolecularWeight: 446.73536

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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=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C(=O)O

InChI

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