N-[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholino-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholinyl)ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(4-ethoxy-3-methoxy-phenyl)-2-morpholino-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])N3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])N3CCOCC3)OC

InChI

InChI=1S/C23H29N3O6S/c1-4-32-20-7-5-16(14-21(20)30-2)19(25-9-11-31-12-10-25)15-24-23(27)17-6-8-22(33-3)18(13-17)26(28)29/h5-8,13-14,19H,4,9-12,15H2,1-3H3,(H,24,27)