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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-butanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-27-17-9-8-13(12-18(17)28-2)22-19(24)16(10-11-29-3)23-20(25)14-6-4-5-7-15(14)21(23)26/h4-9,12,16H,10-11H2,1-3H3,(H,22,24)