N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[(methylthio)methyl]benzamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-25-17-10-14(16(21(23)24)11-18(17)26-2)7-8-20-19(22)15-6-4-5-13(9-15)12-27-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,20,22)