2-(3-methoxypropyl)-1,3-bis(oxidanylidene)-N-(2-prop-2-enylsulfanylphenyl)isoindole-5-carboxamide

Systemtic Name: 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)-N-(2-prop-2-enylsulfanylphenyl)isoindole-5-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-N-[2-(prop-2-enylthio)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-(3-methoxypropyl)-1,3-dioxo-N-(2-prop-2-enylsulfanylphenyl)isoindole-5-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxamide Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C22H22N2O4S/c1-3-13-29-19-8-5-4-7-18(19)23-20(25)15-9-10-16-17(14-15)22(27)24(21(16)26)11-6-12-28-2/h3-5,7-10,14H,1,6,11-13H2,2H3,(H,23,25)