2-chloranyl-5-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid CAS Name: 2-chloro-5-[[[[oxo-[3-(phenoxymethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 2-chloro-5-[[3-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoic acid Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H17ClN2O4S/c23-19-10-9-16(12-18(19)21(27)28)24-22(30)25-20(26)15-6-4-5-14(11-15)13-29-17-7-2-1-3-8-17/h1-12H,13H2,(H,27,28)(H2,24,25,26,30)