2-(carbamothioylamino)-6-[2-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 2-(carbamothioylamino)-6-[2-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 2-(carbamothioylamino)-6-[2-(trifluoromethyl)phenyl]benzoic acid CAS Name: 2-(carbamothioylamino)-6-[2-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 2-(carbamothioylamino)-6-[2-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 2-thioureido-6-[2-(trifluoromethyl)phenyl]benzoic acid Formula: C15H11F3N2O2S MolecularWeight: 340.32025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=CC=C2)NC(=S)N)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=CC=C2)NC(=S)N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H11F3N2O2S/c16-15(17,18)10-6-2-1-4-8(10)9-5-3-7-11(20-14(19)23)12(9)13(21)22/h1-7H,(H,21,22)(H3,19,20,23)