N-[(E)-(3-ethoxy-4-propoxy-phenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(E)-(3-ethoxy-4-propoxy-phenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[(E)-(3-ethoxy-4-propoxy-phenyl)methyleneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[(E)-(3-ethoxy-4-propoxy-benzylidene)amino]-2-[(4-nitrobenzyl)thio]acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-11-29-19-10-7-17(12-20(19)28-4-2)13-22-23-21(25)15-30-14-16-5-8-18(9-6-16)24(26)27/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,23,25)/b22-13+