N-(2,6-dimethylphenyl)-2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoyl-methyl-amino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoyl-methyl-amino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]-methyl-amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]-methylamino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]-methylamino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]-methyl-amino]acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-14-6-5-7-15(2)21(14)22-19(25)11-23(3)20(26)13-30-12-16-8-9-18(29-4)17(10-16)24(27)28/h5-10H,11-13H2,1-4H3,(H,22,25)