4-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: 4-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[3-(phenoxymethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoate Formula: C22H17N2O4S- MolecularWeight: 405.44638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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