N-oxidanyl-2-[3-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)propanoylamino]benzeneamine oxide

Systemtic Name: N-oxidanyl-2-[3-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)propanoylamino]benzeneamine oxide Openeye Name: N-hydroxy-2-[3-(4-phenyl-2-thioxo-1H-pyrimidin-6-yl)propanoylamino]benzeneamine oxide CAS Name: N-hydroxy-2-[[1-oxo-3-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)propyl]amino]benzeneamine oxide IUPAC Name: N-hydroxy-2-[3-(4-phenyl-2-sulfanylidene-1H-pyrimidin-6-yl)propanoylamino]benzeneamine oxide Traditional Name: N-hydroxy-2-[3-(4-phenyl-2-thioxo-1H-pyrimidin-6-yl)propanoylamino]benzeneamine oxide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)NC(=C2)CCC(=O)NC3=CC=CC=C3[NH+](O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)NC(=C2)CCC(=O)NC3=CC=CC=C3[NH+](O)[O-]

InChI

InChI=1S/C19H18N4O3S/c24-18(21-15-8-4-5-9-17(15)23(25)26)11-10-14-12-16(22-19(27)20-14)13-6-2-1-3-7-13/h1-9,12,23,25H,10-11H2,(H,21,24)(H,20,22,27)