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

Systemtic Name: 2-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[4-(acetylthiocarbamoylamino)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Formula: C17H15N4O4S- MolecularWeight: 371.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)NC(=S)NC(=O)C)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)NC(=S)NC(=O)C)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-10-7-15(21(24)25)8-12(16(10)23)9-18-13-3-5-14(6-4-13)20-17(26)19-11(2)22/h3-9,23H,1-2H3,(H2,19,20,22,26)/p-1