N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethyl]-3-nitro-benzamide Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4S/c1-28-20-8-5-14-11-16(22)6-7-18(14)19(20)13-29-10-9-23-21(25)15-3-2-4-17(12-15)24(26)27/h2-8,11-12H,9-10,13H2,1H3,(H,23,25)