N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-methoxy-3-nitro-benzamide Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O4S/c1-24-16-7-4-13(10-15(16)20(22)23)17(21)19-8-9-25-11-12-2-5-14(18)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,19,21)