N-(1-adamantylcarbamoyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C20H23N3O5S/c24-17(11-23-18(25)15-3-1-2-4-16(15)29(23,27)28)21-19(26)22-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,22,24,26)