N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-methoxy-5-methyl-benzyl)piperazino]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H28N4O2S/c1-18-7-8-21(29-2)19(15-18)16-26-10-12-27(13-11-26)17-23(28)25-20-5-3-4-6-22(20)30-14-9-24/h3-8,15H,10-14,16-17H2,1-2H3,(H,25,28)