N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide Traditional Name: 2-(benzylthio)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propionamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)SCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O5S/c1-14(28-13-15-7-5-4-6-8-15)20(23)21-10-9-16-11-18(26-2)19(27-3)12-17(16)22(24)25/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,21,23)