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

Systemtic Name: ethyl 4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S/c1-3-27-16-10-7-13(11-15(16)22(25)26)17(23)21-19(29)20-14-8-5-12(6-9-14)18(24)28-4-2/h5-11H,3-4H2,1-2H3,(H2,20,21,23,29)