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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[4-(pyrrolidinomethyl)benzyl]benzamide Formula: C27H27N3OS MolecularWeight: 441.58778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27N3OS/c28-17-21-7-13-24(14-8-21)20-32-26-6-2-1-5-25(26)27(31)29-18-22-9-11-23(12-10-22)19-30-15-3-4-16-30/h1-2,5-14H,3-4,15-16,18-20H2,(H,29,31)