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

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCCCOCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCCCOCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5S/c1-26-19-9-8-17(12-18(19)22(24)25)14-28-15-20(23)21-10-5-11-27-13-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-15H2,1H3,(H,21,23)