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

Systemtic Name: 2-[[(4-methoxyphenyl)carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-methoxyphenyl)carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(4-methoxyanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(4-methoxyphenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(4-methoxyphenyl)thiocarbamoylamino]methyl]-4-nitro-phenolate Formula: C15H14N3O4S- MolecularWeight: 332.35436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H15N3O4S/c1-22-13-5-2-11(3-6-13)17-15(23)16-9-10-8-12(18(20)21)4-7-14(10)19/h2-8,19H,9H2,1H3,(H2,16,17,23)/p-1