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

Systemtic Name: 2-[[(4-ethoxyphenyl)carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-ethoxyphenyl)carbamothioylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(4-ethoxyphenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[(p-phenetylthiocarbamoylamino)methyl]phenolate Formula: C16H16N3O4S- MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H17N3O4S/c1-2-23-14-6-3-12(4-7-14)18-16(24)17-10-11-9-13(19(21)22)5-8-15(11)20/h3-9,20H,2,10H2,1H3,(H2,17,18,24)/p-1