N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)adamantane-1-carboxamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)adamantane-1-carboxamide Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3O3S/c1-30-20-2-3-22-21(13-20)26-24(32-22)28(5-4-27-6-8-31-9-7-27)23(29)25-14-17-10-18(15-25)12-19(11-17)16-25/h2-3,13,17-19H,4-12,14-16H2,1H3