2-[[(2E)-2-(carbamothioylhydrazinylidene)-4-methoxy-4-oxidanylidene-3-quinoxalin-2-yl-butanoyl]amino]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 2-[[(2E)-2-(carbamothioylhydrazinylidene)-4-methoxy-4-oxidanylidene-3-quinoxalin-2-yl-butanoyl]amino]-N-oxidanyl-benzeneamine oxide Openeye Name: 2-[[(2E)-2-(carbamothioylhydrazono)-4-methoxy-4-oxo-3-quinoxalin-2-yl-butanoyl]amino]-N-hydroxy-benzeneamine oxide CAS Name: 2-[[(2E)-2-(carbamothioylhydrazinylidene)-4-methoxy-1,4-dioxo-3-(2-quinoxalinyl)butyl]amino]-N-hydroxybenzeneamine oxide IUPAC Name: 2-[[(2E)-2-(carbamothioylhydrazinylidene)-4-methoxy-4-oxo-3-quinoxalin-2-ylbutanoyl]amino]-N-hydroxybenzeneamine oxide Traditional Name: N-hydroxy-2-[[(2E)-4-keto-4-methoxy-3-quinoxalin-2-yl-2-(thiocarbamoylhydrazono)butanoyl]amino]benzeneamine oxide Formula: C20H19N7O5S MolecularWeight: 469.47376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=S)N)C(=O)NC3=CC=CC=C3[NH+](O)[O-]

Isomeric SMILES

COC(=O)C(C1=NC2=CC=CC=C2N=C1)/C(=N\NC(=S)N)/C(=O)NC3=CC=CC=C3[NH+](O)[O-]

InChI

InChI=1S/C20H19N7O5S/c1-32-19(29)16(14-10-22-11-6-2-3-7-12(11)23-14)17(25-26-20(21)33)18(28)24-13-8-4-5-9-15(13)27(30)31/h2-10,16,27,30H,1H3,(H,24,28)(H3,21,26,33)/b25-17+