2-[4-(1-adamantyl)piperazin-1-yl]-N-(2,1,3-benzothiadiazol-5-yl)ethanamide

Systemtic Name: 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2,1,3-benzothiadiazol-5-yl)ethanamide Openeye Name: 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2,1,3-benzothiadiazol-5-yl)acetamide CAS Name: 2-[4-(1-adamantyl)-1-piperazinyl]-N-(2,1,3-benzothiadiazol-5-yl)acetamide IUPAC Name: 2-[4-(1-adamantyl)piperazin-1-yl]-N-(2,1,3-benzothiadiazol-5-yl)acetamide Traditional Name: 2-[4-(1-adamantyl)piperazino]-N-piazthiol-5-yl-acetamide Formula: C22H29N5OS MolecularWeight: 411.56356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC3=NSN=C3C=C2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC3=NSN=C3C=C2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H29N5OS/c28-21(23-18-1-2-19-20(10-18)25-29-24-19)14-26-3-5-27(6-4-26)22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2,(H,23,28)