N-(1,3-benzothiazol-2-ylmethyl)-2-(3-bromanyl-1-adamantyl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-bromanyl-1-adamantyl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-bromo-1-adamantyl)acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-bromo-1-adamantyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-bromo-1-adamantyl)acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3-bromo-1-adamantyl)acetamide Formula: C20H23BrN2OS MolecularWeight: 419.37842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H23BrN2OS/c21-20-8-13-5-14(9-20)7-19(6-13,12-20)10-17(24)22-11-18-23-15-3-1-2-4-16(15)25-18/h1-4,13-14H,5-12H2,(H,22,24)