2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-(2-phthalimidoethylthio)propionamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O4S/c1-13(24)15-7-9-16(10-8-15)22-19(25)14(2)28-12-11-23-20(26)17-5-3-4-6-18(17)21(23)27/h3-10,14H,11-12H2,1-2H3,(H,22,25)