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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2-[(4-cyanobenzyl)thio]acetamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N4OS/c28-18-22-6-8-24(9-7-22)20-33-21-27(32)29-25-10-12-26(13-11-25)31-16-14-30(15-17-31)19-23-4-2-1-3-5-23/h1-13H,14-17,19-21H2,(H,29,32)