N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methylphenyl)-1-adamantyl]ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methylphenyl)-1-adamantyl]ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(p-tolyl)-1-adamantyl]acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methylphenyl)-1-adamantyl]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methylphenyl)-1-adamantyl]acetamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(p-tolyl)-1-adamantyl]acetamide Formula: C27H30N2O2S MolecularWeight: 446.6043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=NC6=C(S5)C=C(C=C6)OC

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=NC6=C(S5)C=C(C=C6)OC

InChI

InChI=1S/C27H30N2O2S/c1-17-3-5-20(6-4-17)27-13-18-9-19(14-27)12-26(11-18,16-27)15-24(30)29-25-28-22-8-7-21(31-2)10-23(22)32-25/h3-8,10,18-19H,9,11-16H2,1-2H3,(H,28,29,30)