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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CSCC[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H28N2O3S/c1-29-7-6-19(25-21(27)17-4-2-3-5-18(17)22(25)28)20(26)24-23-11-14-8-15(12-23)10-16(9-14)13-23/h2-5,14-16,19H,6-13H2,1H3,(H,24,26)/t14?,15?,16?,19-,23?/m1/s1