N-(2-methyl-4-nitro-phenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pentanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pentanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pentanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]pentanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpentanamide Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-N-(2-methyl-4-nitro-phenyl)valeramide Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SCC(=O)N2CCOCC2

Isomeric SMILES

CCCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SCC(=O)N2CCOCC2

InChI

InChI=1S/C18H25N3O5S/c1-3-4-16(27-12-17(22)20-7-9-26-10-8-20)18(23)19-15-6-5-14(21(24)25)11-13(15)2/h5-6,11,16H,3-4,7-10,12H2,1-2H3,(H,19,23)