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

Systemtic Name: 2-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[4-(acetylthiocarbamoylamino)phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C17H15N4O5S- MolecularWeight: 387.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)N=CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)N=CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-10(22)19-17(27)20-13-5-3-12(4-6-13)18-9-11-7-14(21(24)25)8-15(26-2)16(11)23/h3-9,23H,1-2H3,(H2,19,20,22,27)/p-1