N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[(2-oxo-1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-[(2-ketopyrrolidino)methyl]benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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