N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-[(2-oxo-1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-[(2-ketopyrrolidino)methyl]benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O2S/c23-14-19-4-1-2-5-20(19)16-28-13-11-24-22(27)18-9-7-17(8-10-18)15-25-12-3-6-21(25)26/h1-2,4-5,7-10H,3,6,11-13,15-16H2,(H,24,27)