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

Systemtic Name: N-[(3,4-dimethoxyphenyl)sulfanylmethyl]-2-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)sulfanylmethyl]-2-nitro-benzamide CAS Name: N-[[(3,4-dimethoxyphenyl)thio]methyl]-2-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)sulfanylmethyl]-2-nitrobenzamide Traditional Name: N-[[(3,4-dimethoxyphenyl)thio]methyl]-2-nitro-benzamide Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-22-14-8-7-11(9-15(14)23-2)24-10-17-16(19)12-5-3-4-6-13(12)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)