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

Systemtic Name: N-[4,6-bis(bromanyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-(4,6-dibromo-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(4,6-dibromo-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(4,6-dibromo-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(4,6-dibromo-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C18H18Br2N2OS MolecularWeight: 470.22132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(C=C(C=C5S4)Br)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(C=C(C=C5S4)Br)Br

InChI

InChI=1S/C18H18Br2N2OS/c19-12-4-13(20)15-14(5-12)24-17(21-15)22-16(23)18-6-9-1-10(7-18)3-11(2-9)8-18/h4-5,9-11H,1-3,6-8H2,(H,21,22,23)