N-[2-nitro-2-(5-oxidanyl-1,3-diazinan-2-ylidene)ethanethioyl]benzamide

Systemtic Name: N-[2-nitro-2-(5-oxidanyl-1,3-diazinan-2-ylidene)ethanethioyl]benzamide Openeye Name: N-[2-(5-hydroxyhexahydropyrimidin-2-ylidene)-2-nitro-ethanethioyl]benzamide CAS Name: N-[2-(5-hydroxy-1,3-diazinan-2-ylidene)-2-nitro-1-sulfanylideneethyl]benzamide IUPAC Name: N-[2-(5-hydroxy-1,3-diazinan-2-ylidene)-2-nitroethanethioyl]benzamide Traditional Name: N-[2-(5-hydroxyhexahydropyrimidin-2-ylidene)-2-nitro-thioacetyl]benzamide Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC(=C(C(=S)NC(=O)C2=CC=CC=C2)[N+](=O)[O-])N1)O

Isomeric SMILES

C1C(CNC(=C(C(=S)NC(=O)C2=CC=CC=C2)[N+](=O)[O-])N1)O

InChI

InChI=1S/C13H14N4O4S/c18-9-6-14-11(15-7-9)10(17(20)21)13(22)16-12(19)8-4-2-1-3-5-8/h1-5,9,14-15,18H,6-7H2,(H,16,19,22)