N-[(2-nitrophenyl)methyl-[1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]carbamothioyl]benzamide

Systemtic Name: N-[(2-nitrophenyl)methyl-[1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(hydroxyamino)-1-methyl-2-oxo-ethyl]-[(2-nitrophenyl)methyl]carbamothioyl]benzamide CAS Name: N-[[[1-(hydroxyamino)-1-oxopropan-2-yl]-[(2-nitrophenyl)methyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[1-(hydroxyamino)-1-oxopropan-2-yl]-[(2-nitrophenyl)methyl]carbamothioyl]benzamide Traditional Name: N-[[2-(hydroxyamino)-2-keto-1-methyl-ethyl]-(2-nitrobenzyl)thiocarbamoyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NO)N(CC1=CC=CC=C1[N+](=O)[O-])C(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NO)N(CC1=CC=CC=C1[N+](=O)[O-])C(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18N4O5S/c1-12(16(23)20-25)21(11-14-9-5-6-10-15(14)22(26)27)18(28)19-17(24)13-7-3-2-4-8-13/h2-10,12,25H,11H2,1H3,(H,20,23)(H,19,24,28)