(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-3-benzylsulfanyl-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-3-benzylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-3-(benzylthio)-2-(1-ketoisoindolin-2-yl)propionamide Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1C(CSCC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1[C@@H](CSCC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O4S/c28-24(26-19-10-11-22-23(12-19)31-16-30-22)21(15-32-14-17-6-2-1-3-7-17)27-13-18-8-4-5-9-20(18)25(27)29/h1-12,21H,13-16H2,(H,26,28)/t21-/m0/s1