[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(2S,6R)-2,6-dimethylmorpholine-4-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[[(2S,6R)-2,6-dimethyl-4-morpholinyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(2S,6R)-2,6-dimethylmorpholine-4-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(2S,6R)-2,6-dimethylmorpholine-4-carbothioyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C17H20N5O3S2- MolecularWeight: 406.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

C[C@@H]1CN(C[C@@H](O1)C)C(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O3S2/c1-12-10-22(11-13(2)25-12)17(26)20-14-4-6-15(7-5-14)27(23,24)21-16-18-8-3-9-19-16/h3-9,12-13H,10-11H2,1-2H3,(H2,18,19,20,21,26)/p-1/t12-,13+