2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-ethoxyphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-ethoxyphenyl)-4-methylsulfanyl-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(4-ethoxyphenyl)-4-methylsulfanyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(4-ethoxyphenyl)-4-(methylthio)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)-4-methylsulfanylbutanamide Traditional Name: 4-(methylthio)-2-phthalimido-N-p-phenetyl-butyramide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O4S/c1-3-27-15-10-8-14(9-11-15)22-19(24)18(12-13-28-2)23-20(25)16-6-4-5-7-17(16)21(23)26/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)