ethyl 4-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O5S/c1-2-30-21(27)14-3-7-16(8-4-14)24-22(32)25-17-11-18(26(28)29)13-20(12-17)31-19-9-5-15(23)6-10-19/h3-13H,2H2,1H3,(H2,24,25,32)