N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide Formula: C24H23F2N3OS MolecularWeight: 439.520726

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(C=C(C=C6S5)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(C=C(C=C6S5)F)F

InChI

InChI=1S/C24H23F2N3OS/c25-17-8-19(26)21-20(9-17)31-23(28-21)29(13-18-3-1-2-4-27-18)22(30)24-10-14-5-15(11-24)7-16(6-14)12-24/h1-4,8-9,14-16H,5-7,10-13H2