2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]ethanamide Openeye Name: N-[[2-(isopropoxymethyl)phenyl]methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide Traditional Name: N-[2-(isopropoxymethyl)benzyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c1-15(2)28-12-18-7-5-4-6-17(18)11-22-21(24)14-29-13-16-8-9-20(27-3)19(10-16)23(25)26/h4-10,15H,11-14H2,1-3H3,(H,22,24)