N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4O2S/c1-26(13-20-23-17-4-2-3-5-18(17)29-20)12-19(27)24-21(28)25-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-13H2,1H3,(H2,24,25,27,28)