2-[[(4-ethylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(4-ethylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-ethylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(4-ethylanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(4-ethylphenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(4-ethylphenyl)thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C16H16N3O3S- MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H17N3O3S/c1-2-11-3-5-13(6-4-11)18-16(23)17-10-12-9-14(19(21)22)7-8-15(12)20/h3-9,20H,2,10H2,1H3,(H2,17,18,23)/p-1