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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfanyl-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: (2R)-3-(benzylthio)-2-(1-ketoisoindolin-2-yl)-N-piperonyl-propionamide Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1C(CSCC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1[C@@H](CSCC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N2O4S/c29-25(27-13-19-10-11-23-24(12-19)32-17-31-23)22(16-33-15-18-6-2-1-3-7-18)28-14-20-8-4-5-9-21(20)26(28)30/h1-12,22H,13-17H2,(H,27,29)/t22-/m0/s1