2-isoquinolin-1-ylsulfanyl-1,3-dimorpholin-4-yl-propane-1,3-dione

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-1,3-dimorpholin-4-yl-propane-1,3-dione Openeye Name: 2-(1-isoquinolylsulfanyl)-1,3-dimorpholino-propane-1,3-dione CAS Name: 2-(1-isoquinolinylthio)-1,3-bis(4-morpholinyl)propane-1,3-dione IUPAC Name: 2-isoquinolin-1-ylsulfanyl-1,3-dimorpholin-4-ylpropane-1,3-dione Traditional Name: 2-(1-isoquinolylthio)-1,3-dimorpholino-propane-1,3-dione Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C(=O)N2CCOCC2)SC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1COCCN1C(=O)C(C(=O)N2CCOCC2)SC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C20H23N3O4S/c24-19(22-7-11-26-12-8-22)17(20(25)23-9-13-27-14-10-23)28-18-16-4-2-1-3-15(16)5-6-21-18/h1-6,17H,7-14H2