2-[4-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[2-[(4-cyanophenyl)methylthio]-1-oxoethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-[(4-cyanobenzyl)thio]acetyl]piperazino]acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O2S/c24-14-19-6-8-21(9-7-19)17-30-18-23(29)27-12-10-26(11-13-27)16-22(28)25-15-20-4-2-1-3-5-20/h1-9H,10-13,15-18H2,(H,25,28)