2-(1-adamantyl)-N-[1-oxidanylidene-2-(3-thiomorpholin-4-ylpropyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(3-thiomorpholin-4-ylpropyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-thiomorpholinopropyl)-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-thiomorpholin-4-ylpropyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-thiomorpholin-4-ylpropyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(3-thiomorpholinopropyl)-5-isoquinolyl]acetamide Formula: C28H37N3O2S MolecularWeight: 479.67728

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CSCCN1CCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H37N3O2S/c32-26(19-28-16-20-13-21(17-28)15-22(14-20)18-28)29-25-4-1-3-24-23(25)5-8-31(27(24)33)7-2-6-30-9-11-34-12-10-30/h1,3-5,8,20-22H,2,6-7,9-19H2,(H,29,32)