N-[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(2-tert-butyl-1,3-dioxo-isoindolin-5-yl)acetamide CAS Name: N-(2-tert-butyl-1,3-dioxo-5-isoindolyl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(2-tert-butyl-1,3-dioxoisoindol-5-yl)acetamide Traditional Name: 2-(benzylthio)-N-(2-tert-butyl-1,3-diketo-isoindolin-5-yl)acetamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-21(2,3)23-19(25)16-10-9-15(11-17(16)20(23)26)22-18(24)13-27-12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,22,24)