2-morpholin-4-yl-5-nitro-N-[(3-oxidanylpyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(3-oxidanylpyridin-2-yl)carbamothioyl]benzamide Openeye Name: N-[(3-hydroxy-2-pyridyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(3-hydroxy-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3-hydroxypyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3-hydroxy-2-pyridyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C17H17N5O5S MolecularWeight: 403.41238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC=N3)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC=N3)O

InChI

InChI=1S/C17H17N5O5S/c23-14-2-1-5-18-15(14)19-17(28)20-16(24)12-10-11(22(25)26)3-4-13(12)21-6-8-27-9-7-21/h1-5,10,23H,6-9H2,(H2,18,19,20,24,28)