N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[3-(4-morpholinyl)-3-thiolanyl]methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C1CSCC1(CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H23N3O4S2/c21-16(11-26-15-3-1-14(2-4-15)20(22)23)18-12-17(5-10-25-13-17)19-6-8-24-9-7-19/h1-4H,5-13H2,(H,18,21)