N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)adamantane-1-carboxamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)adamantane-1-carboxamide Formula: C25H33N3O2S2 MolecularWeight: 471.67842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3O2S2/c1-31-20-2-3-21-22(13-20)32-24(26-21)28(5-4-27-6-8-30-9-7-27)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