N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-(1-oxoisoindolin-2-yl)-3-phenyl-propanamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide Traditional Name: 2-(1-ketoisoindolin-2-yl)-N-[2-[4-(methylthio)phenyl]ethyl]-3-phenyl-propionamide Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H26N2O2S/c1-31-22-13-11-19(12-14-22)15-16-27-25(29)24(17-20-7-3-2-4-8-20)28-18-21-9-5-6-10-23(21)26(28)30/h2-14,24H,15-18H2,1H3,(H,27,29)