N-(3,4-dipropoxyphenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])OCCC

InChI

InChI=1S/C22H28N2O6S/c1-4-10-29-20-9-7-17(13-21(20)30-11-5-2)23-22(25)15-31-14-16-6-8-19(28-3)18(12-16)24(26)27/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H,23,25)