N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(methylthio)-3-nitro-benzamide Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-22-13-6-5-11(9-14(13)23-2)17-16(19)10-4-7-15(24-3)12(8-10)18(20)21/h4-9H,1-3H3,(H,17,19)