2-[[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C16H15ClN3O3S2- MolecularWeight: 396.8916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C16H16ClN3O3S2/c17-12-1-4-14(5-2-12)25-8-7-18-16(24)19-10-11-9-13(20(22)23)3-6-15(11)21/h1-6,9,21H,7-8,10H2,(H2,18,19,24)/p-1