ethyl 4-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-3-25-14-9-10-15(16(11-14)21(23)24)20-18(27)19-13-7-5-12(6-8-13)17(22)26-4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,27)