2,3,6-tris(fluoranyl)-5-[(4-nitrophenyl)carbamothioylamino]benzoic acid

Systemtic Name: 2,3,6-tris(fluoranyl)-5-[(4-nitrophenyl)carbamothioylamino]benzoic acid Openeye Name: 2,3,6-trifluoro-5-[(4-nitrophenyl)carbamothioylamino]benzoic acid CAS Name: 2,3,6-trifluoro-5-[[(4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2,3,6-trifluoro-5-[(4-nitrophenyl)carbamothioylamino]benzoic acid Traditional Name: 2,3,6-trifluoro-5-[(4-nitrophenyl)thiocarbamoylamino]benzoic acid Formula: C14H8F3N3O4S MolecularWeight: 371.29123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CC(=C(C(=C2F)C(=O)O)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=C(C(=C2F)C(=O)O)F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H8F3N3O4S/c15-8-5-9(12(17)10(11(8)16)13(21)22)19-14(25)18-6-1-3-7(4-2-6)20(23)24/h1-5H,(H,21,22)(H2,18,19,25)