N-(1-adamantyl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-(1-adamantyl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]adamantane-1-carboxamide Openeye Name: N-(1-adamantyl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]adamantane-1-carboxamide CAS Name: N-(1-adamantyl)-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-(1-adamantyl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]adamantane-1-carboxamide Traditional Name: N-(1-adamantyl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]adamantane-1-carboxamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(C45CC6CC(C4)CC(C6)C5)N=CC7=CC=C(S7)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(C45CC6CC(C4)CC(C6)C5)/N=C/C7=CC=C(S7)[N+](=O)[O-]

InChI

InChI=1S/C26H33N3O3S/c30-24(25-9-16-3-17(10-25)5-18(4-16)11-25)28(27-15-22-1-2-23(33-22)29(31)32)26-12-19-6-20(13-26)8-21(7-19)14-26/h1-2,15-21H,3-14H2/b27-15+