2-(1-adamantylamino)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(1-adamantylamino)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-ethanamide Openeye Name: 2-(1-adamantylamino)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-acetamide CAS Name: 2-(1-adamantylamino)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide IUPAC Name: 2-(1-adamantylamino)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide Traditional Name: 2-(1-adamantylamino)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3OS/c1-14(21-24-18-5-3-4-6-19(18)27-21)25(2)20(26)13-23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17,23H,7-13H2,1-2H3/t14-,15?,16?,17?,22?/m1/s1