N-(3,5-dimethoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5S/c1-13(2)7-8-28-19-6-5-14(9-18(19)22(24)25)20(23)21-15-10-16(26-3)12-17(11-15)27-4/h5-6,9-13H,7-8H2,1-4H3,(H,21,23)