2-chloranyl-4-(2-phenoxyethanoylcarbamothioylamino)benzoate

Systemtic Name: 2-chloranyl-4-(2-phenoxyethanoylcarbamothioylamino)benzoate Openeye Name: 2-chloro-4-[(2-phenoxyacetyl)carbamothioylamino]benzoate CAS Name: 2-chloro-4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-4-[(2-phenoxyacetyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-4-[(2-phenoxyacetyl)thiocarbamoylamino]benzoate Formula: C16H12ClN2O4S- MolecularWeight: 363.79548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O4S/c17-13-8-10(6-7-12(13)15(21)22)18-16(24)19-14(20)9-23-11-4-2-1-3-5-11/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)/p-1