N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(4-nitrobenzyl)thio]acetamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N2O5S/c1-25-17-8-5-14(11-18(17)26-2)9-10-20-19(22)13-27-12-15-3-6-16(7-4-15)21(23)24/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,22)