N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethyl]-4-chloro-3-nitro-benzamide Formula: C21H18BrClN2O4S MolecularWeight: 509.80062

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN2O4S/c1-29-20-7-3-13-10-15(22)4-5-16(13)17(20)12-30-9-8-24-21(26)14-2-6-18(23)19(11-14)25(27)28/h2-7,10-11H,8-9,12H2,1H3,(H,24,26)