2-chloranyl-4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 2-chloranyl-4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-chloro-4-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-4-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-4-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoate Formula: C17H13ClN3O6S- MolecularWeight: 422.81962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O6S/c1-2-27-14-6-3-9(7-13(14)21(25)26)15(22)20-17(28)19-10-4-5-11(16(23)24)12(18)8-10/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28)/p-1