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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanyl-butanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: 4-(methylthio)-2-phthalimido-N-veratryl-butyramide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H24N2O5S/c1-28-18-9-8-14(12-19(18)29-2)13-23-20(25)17(10-11-30-3)24-21(26)15-6-4-5-7-16(15)22(24)27/h4-9,12,17H,10-11,13H2,1-3H3,(H,23,25)