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

Systemtic Name: 4-[(2-chlorophenyl)methyl]-2-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitro-phenolate CAS Name: 2-[[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitrophenolate IUPAC Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-4-[(2-chlorophenyl)methyl]-6-nitrophenolate Traditional Name: 2-[[4-(acetylthiocarbamoylamino)phenyl]iminomethyl]-4-(2-chlorobenzyl)-6-nitro-phenolate Formula: C23H18ClN4O4S- MolecularWeight: 481.93142

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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-])[N+](=O)[O-])CC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H19ClN4O4S/c1-14(29)26-23(33)27-19-8-6-18(7-9-19)25-13-17-11-15(12-21(22(17)30)28(31)32)10-16-4-2-3-5-20(16)24/h2-9,11-13,30H,10H2,1H3,(H2,26,27,29,33)/p-1