N-[(3,4-dimethoxyphenyl)sulfanylmethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)sulfanylmethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)sulfanylmethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[[(3,4-dimethoxyphenyl)thio]methyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)sulfanylmethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[[(3,4-dimethoxyphenyl)thio]methyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-24-14-6-5-11(7-15(14)25-2)28-10-19-18(21)12-8-16(26-3)17(27-4)9-13(12)20(22)23/h5-9H,10H2,1-4H3,(H,19,21)