N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-methyl-ethanamide

Systemtic Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-methyl-ethanamide Openeye Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-methyl-acetamide CAS Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-N-methylacetamide IUPAC Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-methylacetamide Traditional Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-[(4-methoxy-3-nitro-benzyl)thio]-N-methyl-acetamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-4-24-13-17(30-21-8-6-5-7-18(21)24)12-23(2)22(26)15-31-14-16-9-10-20(29-3)19(11-16)25(27)28/h5-11,17H,4,12-15H2,1-3H3