N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide Formula: C25H26ClN3OS MolecularWeight: 452.01144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C25H26ClN3OS/c1-15-20(26)5-6-21-22(15)28-24(31-21)29(14-19-4-2-3-7-27-19)23(30)25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18H,8-14H2,1H3