4-ethoxy-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-ethoxy-3-nitro-benzamide CAS Name: 4-ethoxy-3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-ethoxy-3-nitro-benzamide Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-2-24-17-9-8-15(12-16(17)20(22)23)18(21)19-10-11-25-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,19,21)