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

Systemtic Name: 2-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[4-(acetylthiocarbamoylamino)phenyl]iminomethyl]-4-nitro-phenolate Formula: C16H13N4O4S- MolecularWeight: 357.36382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-10(21)18-16(25)19-13-4-2-12(3-5-13)17-9-11-8-14(20(23)24)6-7-15(11)22/h2-9,22H,1H3,(H2,18,19,21,25)/p-1