2-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c23-17(10-19-7-11-3-12(8-19)5-13(4-11)9-19)21-18-20-15-2-1-14(22(24)25)6-16(15)26-18/h1-2,6,11-13H,3-5,7-10H2,(H,20,21,23)