N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1Br)OC)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1Br)OC)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN2O5S/c1-12(28-15-6-4-14(5-7-15)22(24)25)19(23)21-9-8-13-10-17(26-2)18(27-3)11-16(13)20/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)