(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2R)-3-benzylsulfanyl-N-(3,4-dimethoxyphenyl)-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propanamide IUPAC Name: (2R)-3-benzylsulfanyl-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: (2R)-3-(benzylthio)-N-(3,4-dimethoxyphenyl)-2-(1-ketoisoindolin-2-yl)propionamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CSCC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C26H26N2O4S/c1-31-23-13-12-20(14-24(23)32-2)27-25(29)22(17-33-16-18-8-4-3-5-9-18)28-15-19-10-6-7-11-21(19)26(28)30/h3-14,22H,15-17H2,1-2H3,(H,27,29)/t22-/m0/s1