2-(3-methyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-methyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[2-methyl-1-(morpholine-4-carbonyl)propyl]sulfanyl-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[[3-methyl-1-(4-morpholinyl)-1-oxobutan-2-yl]thio]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[[2-methyl-1-(morpholine-4-carbonyl)propyl]thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC(C(C)C)C(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC(C(C)C)C(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5S/c1-12(2)17(18(23)20-6-8-26-9-7-20)27-11-16(22)19-14-5-4-13(3)10-15(14)21(24)25/h4-5,10,12,17H,6-9,11H2,1-3H3,(H,19,22)