2-(isoquinolin-1-ylsulfanylmethyl)-1,3-dimorpholin-4-yl-propane-1,3-dione

Systemtic Name: 2-(isoquinolin-1-ylsulfanylmethyl)-1,3-dimorpholin-4-yl-propane-1,3-dione Openeye Name: 2-(1-isoquinolylsulfanylmethyl)-1,3-dimorpholino-propane-1,3-dione CAS Name: 2-[(1-isoquinolinylthio)methyl]-1,3-bis(4-morpholinyl)propane-1,3-dione IUPAC Name: 2-(isoquinolin-1-ylsulfanylmethyl)-1,3-dimorpholin-4-ylpropane-1,3-dione Traditional Name: 2-[(1-isoquinolylthio)methyl]-1,3-dimorpholino-propane-1,3-dione Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CSC2=NC=CC3=CC=CC=C32)C(=O)N4CCOCC4

Isomeric SMILES

C1COCCN1C(=O)C(CSC2=NC=CC3=CC=CC=C32)C(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O4S/c25-20(23-7-11-27-12-8-23)18(21(26)24-9-13-28-14-10-24)15-29-19-17-4-2-1-3-16(17)5-6-22-19/h1-6,18H,7-15H2