N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H28N2O6S/c1-5-29-20-10-8-17(12-21(20)30-6-2)15(3)23-22(25)14-31-13-16-7-9-19(28-4)18(11-16)24(26)27/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,25)