N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N3O2S/c1-2-31-21-6-7-22-23(12-21)32-25(28-22)29(16-20-5-3-4-8-27-20)24(30)26-13-17-9-18(14-26)11-19(10-17)15-26/h3-8,12,17-19H,2,9-11,13-16H2,1H3