3,4,5-trimethoxy-2-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-25-15-11-14(16(21(23)24)18(27-3)17(15)26-2)19(22)20-9-10-28-12-13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,20,22)