N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-(4-methoxy-7-methyl-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:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

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