N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-4-(methylthio)-3-nitro-benzamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-12(2)19(13-4-6-16-17(11-13)27-9-8-26-16)21-20(23)14-5-7-18(28-3)15(10-14)22(24)25/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,23)