N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)adamantane-1-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)adamantane-1-carboxamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C26H35N3O2S/c1-17-9-18(2)23-22(10-17)27-25(32-23)29(4-3-28-5-7-31-8-6-28)24(30)26-14-19-11-20(15-26)13-21(12-19)16-26/h9-10,19-21H,3-8,11-16H2,1-2H3