(2S)-N-cycloheptyl-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-cycloheptyl-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-N-cycloheptyl-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-N-cycloheptyl-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-cycloheptyl-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-N-cycloheptyl-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butyramide Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCCCC1)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CSCC[C@@H](C(=O)NC1CCCCCC1)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H28N2O2S/c1-25-13-12-18(19(23)21-16-9-4-2-3-5-10-16)22-14-15-8-6-7-11-17(15)20(22)24/h6-8,11,16,18H,2-5,9-10,12-14H2,1H3,(H,21,23)/t18-/m0/s1