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

Systemtic Name: 2-[3-(4-methylphenyl)-1-adamantyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[3-(p-tolyl)-1-adamantyl]acetamide CAS Name: 2-[3-(4-methylphenyl)-1-adamantyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(4-methylphenyl)-1-adamantyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[3-(p-tolyl)-1-adamantyl]acetamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O3S/c1-16-2-4-19(5-3-16)26-12-17-8-18(13-26)11-25(10-17,15-26)14-23(30)28-24-27-21-7-6-20(29(31)32)9-22(21)33-24/h2-7,9,17-18H,8,10-15H2,1H3,(H,27,28,30)