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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(4-morpholin-4-ylphenyl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-N-(4-morpholinophenyl)butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-N-[4-(4-morpholinyl)phenyl]butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(4-morpholin-4-ylphenyl)butanamide Traditional Name: 4-(methylthio)-N-(4-morpholinophenyl)-2-phthalimido-butyramide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O4S/c1-31-15-10-20(26-22(28)18-4-2-3-5-19(18)23(26)29)21(27)24-16-6-8-17(9-7-16)25-11-13-30-14-12-25/h2-9,20H,10-15H2,1H3,(H,24,27)