N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2SCC#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)CC(=O)NC2=CC=CC=C2SCC#N)OC

InChI

InChI=1S/C21H25N3O3S/c1-4-27-18-10-9-16(13-19(18)26-3)14-24(2)15-21(25)23-17-7-5-6-8-20(17)28-12-11-22/h5-10,13H,4,12,14-15H2,1-3H3,(H,23,25)