N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3S/c29-22(24-11-15-7-16(12-24)9-17(8-15)13-24)27(14-18-3-1-2-6-25-18)23-26-20-5-4-19(28(30)31)10-21(20)32-23/h1-6,10,15-17H,7-9,11-14H2