N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethyl]-2-(4-nitrophenyl)acetamide Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21BrN2O4S/c1-29-21-9-4-16-13-17(23)5-8-19(16)20(21)14-30-11-10-24-22(26)12-15-2-6-18(7-3-15)25(27)28/h2-9,13H,10-12,14H2,1H3,(H,24,26)