2-(3-methyl-4-nitro-phenoxy)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3-methyl-4-nitro-phenoxy)acetamide CAS Name: 2-(3-methyl-4-nitrophenoxy)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3-methyl-4-nitrophenoxy)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(3-methyl-4-nitro-phenoxy)acetamide Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-14-11-16(7-8-17(14)20(22)23)24-12-18(21)19-9-10-25-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)