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

Systemtic Name: N-(2-adamantyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanamide Openeye Name: N-(2-adamantyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-(2-adamantyl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(2-adamantyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-(2-adamantyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1C2CC3CC(C2)CC1C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CSCCC(C(=O)NC1C2CC3CC(C2)CC1C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H28N2O3S/c1-29-7-6-19(25-22(27)17-4-2-3-5-18(17)23(25)28)21(26)24-20-15-9-13-8-14(11-15)12-16(20)10-13/h2-5,13-16,19-20H,6-12H2,1H3,(H,24,26)