2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[4-(2-ketopyrrolidino)benzyl]nicotinamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H23N3O4S/c29-23-4-2-12-28(23)18-7-5-17(6-8-18)16-27-24(30)20-3-1-11-26-25(20)33-19-9-10-21-22(15-19)32-14-13-31-21/h1,3,5-11,15H,2,4,12-14,16H2,(H,27,30)