N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylsulfanyl-1-oxidanyl-butan-2-yl)amino]-5-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylsulfanyl-1-oxidanyl-butan-2-yl)amino]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[1-(hydroxymethyl)-3-methylsulfanyl-propyl]amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[1-hydroxy-4-(methylthio)butan-2-yl]amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-5-nitrobenzamide Traditional Name: 2-[[1-methylol-3-(methylthio)propyl]amino]-5-nitro-N-veratryl-benzamide Formula: C21H27N3O6S MolecularWeight: 449.52058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(CCSC)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(CCSC)CO)OC

InChI

InChI=1S/C21H27N3O6S/c1-29-19-7-4-14(10-20(19)30-2)12-22-21(26)17-11-16(24(27)28)5-6-18(17)23-15(13-25)8-9-31-3/h4-7,10-11,15,23,25H,8-9,12-13H2,1-3H3,(H,22,26)