2-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[4-(acetylthiocarbamoylamino)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C18H17N4O5S- MolecularWeight: 401.41638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-27-16-9-15(22(25)26)8-12(17(16)24)10-19-13-4-6-14(7-5-13)21-18(28)20-11(2)23/h4-10,24H,3H2,1-2H3,(H2,20,21,23,28)/p-1