N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(4-isopropylbenzyl)piperazino]acetamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-19(2)21-9-7-20(8-10-21)17-27-12-14-28(15-13-27)18-24(29)26-22-5-3-4-6-23(22)30-16-11-25/h3-10,19H,12-18H2,1-2H3,(H,26,29)