2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]acetamide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-12-8-19(13(2)7-15(12)21)29-11-20(24)22-6-5-14-9-17(27-3)18(28-4)10-16(14)23(25)26/h7-10H,5-6,11H2,1-4H3,(H,22,24)