N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-dimethylaminophenyl)methyl-ethyl-amino]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-dimethylaminophenyl)methyl-ethyl-amino]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-dimethylaminophenyl)methyl-ethyl-amino]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-dimethylaminophenyl)methyl-ethylamino]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-dimethylaminophenyl)methyl-ethylamino]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[4-(dimethylamino)benzyl]-ethyl-amino]acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CCN(CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C21H26N4OS/c1-4-25(15-17-9-11-18(12-10-17)24(2)3)16-21(26)23-19-7-5-6-8-20(19)27-14-13-22/h5-12H,4,14-16H2,1-3H3,(H,23,26)