2-(3-methoxypropyl)-1,3-bis(oxidanylidene)-N-[2-(phenylmethylsulfanyl)ethyl]isoindole-5-carboxamide

Systemtic Name: 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)-N-[2-(phenylmethylsulfanyl)ethyl]isoindole-5-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-N-[2-(phenylmethylthio)ethyl]-5-isoindolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-28-12-5-11-24-21(26)18-9-8-17(14-19(18)22(24)27)20(25)23-10-13-29-15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,25)