N-(4-methyl-2-morpholin-4-yl-pentyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-methyl-2-morpholin-4-yl-pentyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(4-methyl-2-morpholino-pentyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4-methyl-2-(4-morpholinyl)pentyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(4-methyl-2-morpholin-4-ylpentyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-methyl-2-morpholino-pentyl)-4-(methylthio)-3-nitro-benzamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CC(C)CC(CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C18H27N3O4S/c1-13(2)10-15(20-6-8-25-9-7-20)12-19-18(22)14-4-5-17(26-3)16(11-14)21(23)24/h4-5,11,13,15H,6-10,12H2,1-3H3,(H,19,22)