1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-keto-N-[4-(3-pyridylmethylthio)phenyl]pyrrolidine-3-carboxamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C24H21N3O4S/c28-23-10-17(13-27(23)19-5-8-21-22(11-19)31-15-30-21)24(29)26-18-3-6-20(7-4-18)32-14-16-2-1-9-25-12-16/h1-9,11-12,17H,10,13-15H2,(H,26,29)