N-[(4-nitrophenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]carbamothioyl]benzamide

Systemtic Name: N-[(4-nitrophenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]carbamothioyl]benzamide Openeye Name: N-[[2-(hydroxyamino)-2-oxo-ethyl]-[(4-nitrophenyl)methyl]carbamothioyl]benzamide CAS Name: N-[[[2-(hydroxyamino)-2-oxoethyl]-[(4-nitrophenyl)methyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(hydroxyamino)-2-oxoethyl]-[(4-nitrophenyl)methyl]carbamothioyl]benzamide Traditional Name: N-[[2-(hydroxyamino)-2-keto-ethyl]-(4-nitrobenzyl)thiocarbamoyl]benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NO

InChI

InChI=1S/C17H16N4O5S/c22-15(19-24)11-20(10-12-6-8-14(9-7-12)21(25)26)17(27)18-16(23)13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H,19,22)(H,18,23,27)