5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-2-(2-piperidin-1-ylethyl)-3H-isoindol-1-one

Systemtic Name: 5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-2-(2-piperidin-1-ylethyl)-3H-isoindol-1-one Openeye Name: 5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(1-piperidyl)ethyl]isoindolin-1-one CAS Name: 5-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]-2-[2-(1-piperidinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-2-(2-piperidin-1-ylethyl)-3H-isoindol-1-one Traditional Name: 5-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-piperidinoethyl)isoindolin-1-one Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CC3=C(C2=O)C=CC(=C3)C4=NN=C(O4)CSCCOC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCN2CC3=C(C2=O)C=CC(=C3)C4=NN=C(O4)CSCCOC5=CC=CC=C5

InChI

InChI=1S/C26H30N4O3S/c31-26-23-10-9-20(17-21(23)18-30(26)14-13-29-11-5-2-6-12-29)25-28-27-24(33-25)19-34-16-15-32-22-7-3-1-4-8-22/h1,3-4,7-10,17H,2,5-6,11-16,18-19H2