N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2,3-dimethylphenyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2,3-dimethylphenyl)piperazino]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N)C

InChI

InChI=1S/C22H26N4OS/c1-17-6-5-8-20(18(17)2)26-13-11-25(12-14-26)16-22(27)24-19-7-3-4-9-21(19)28-15-10-23/h3-9H,11-16H2,1-2H3,(H,24,27)