3-cyano-4-(2-methylpropanoylcarbamothioylamino)-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-cyano-4-(2-methylpropanoylcarbamothioylamino)-N-oxidanyl-benzeneamine oxide Openeye Name: 3-cyano-N-hydroxy-4-(2-methylpropanoylcarbamothioylamino)benzeneamine oxide CAS Name: 3-cyano-N-hydroxy-4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzeneamine oxide IUPAC Name: 3-cyano-N-hydroxy-4-(2-methylpropanoylcarbamothioylamino)benzeneamine oxide Traditional Name: 3-cyano-N-hydroxy-4-(isobutyrylthiocarbamoylamino)benzeneamine oxide Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1)[NH+](O)[O-])C#N

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1)[NH+](O)[O-])C#N

InChI

InChI=1S/C12H14N4O3S/c1-7(2)11(17)15-12(20)14-10-4-3-9(16(18)19)5-8(10)6-13/h3-5,7,16,18H,1-2H3,(H2,14,15,17,20)