1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]isoindole-5-carboxamide Openeye Name: 1,3-dioxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-N-[4-(3-pyridinylmethylthio)phenyl]-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-N-[4-(3-pyridylmethylthio)phenyl]-2-(tetrahydrofurfuryl)isoindoline-5-carboxamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C26H23N3O4S/c30-24(28-19-6-8-21(9-7-19)34-16-17-3-1-11-27-14-17)18-5-10-22-23(13-18)26(32)29(25(22)31)15-20-4-2-12-33-20/h1,3,5-11,13-14,20H,2,4,12,15-16H2,(H,28,30)