N-[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-5-methylsulfanyl-2-nitro-benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-5-methylsulfanyl-2-nitro-benzamide Openeye Name: N-[2-(4-methoxyphenyl)-2-morpholino-ethyl]-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-[2-(4-methoxyphenyl)-2-morpholino-ethyl]-5-(methylthio)-2-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H25N3O5S/c1-28-16-5-3-15(4-6-16)20(23-9-11-29-12-10-23)14-22-21(25)18-13-17(30-2)7-8-19(18)24(26)27/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)