2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[2-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3OS/c23-13-18-7-9-19(10-8-18)16-27-17-22(26)24-14-20-5-1-2-6-21(20)15-25-11-3-4-12-25/h1-2,5-10H,3-4,11-12,14-17H2,(H,24,26)