2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-(4-phthalimidobutylthio)acetamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O3S2/c1-27-16-8-6-7-15(13-16)22-19(24)14-28-12-5-4-11-23-20(25)17-9-2-3-10-18(17)21(23)26/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,24)