(2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)propanamide

Systemtic Name: (2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)propanamide Openeye Name: (2R)-3-benzylsulfanyl-2-(1-oxoisoindolin-2-yl)-N-[2-(3-pyridyl)-3H-benzimidazol-5-yl]propanamide CAS Name: (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)-N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]propanamide IUPAC Name: (2R)-3-benzylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)propanamide Traditional Name: (2R)-3-(benzylthio)-2-(1-ketoisoindolin-2-yl)-N-[2-(3-pyridyl)-3H-benzimidazol-5-yl]propionamide Formula: C30H25N5O2S MolecularWeight: 519.6168

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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)N=C(N5)C6=CN=CC=C6

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1[C@@H](CSCC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

InChI

InChI=1S/C30H25N5O2S/c36-29(32-23-12-13-25-26(15-23)34-28(33-25)21-10-6-14-31-16-21)27(19-38-18-20-7-2-1-3-8-20)35-17-22-9-4-5-11-24(22)30(35)37/h1-16,27H,17-19H2,(H,32,36)(H,33,34)/t27-/m0/s1