N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-piperonyl-acetamide Formula: C18H18N2O6S MolecularWeight: 390.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-24-15-4-3-13(6-14(15)20(22)23)9-27-10-18(21)19-8-12-2-5-16-17(7-12)26-11-25-16/h2-7H,8-11H2,1H3,(H,19,21)