N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-cyclopropyl-N-(2,5-dimethoxybenzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-28-18-7-9-20(29-2)16(11-18)12-23(17-5-6-17)22(25)14-31-13-15-4-8-21(30-3)19(10-15)24(26)27/h4,7-11,17H,5-6,12-14H2,1-3H3