3-[[4-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[[4-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[[4-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[oxo-[4-(phenoxymethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[4-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[4-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c25-20(24-22(29)23-18-6-4-5-17(13-18)21(26)27)16-11-9-15(10-12-16)14-28-19-7-2-1-3-8-19/h1-13H,14H2,(H,26,27)(H2,23,24,25,29)