N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H27N3O2S/c1-30-20-5-6-22-21(11-20)27-24(31-22)28(15-19-4-2-3-7-26-19)23(29)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18H,8-10,12-15H2,1H3