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

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

Systemtic Name:N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Openeye Name:N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CAS Name:N-(6-nitro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide
IUPAC Name:N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Traditional Name:N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Formula: C18H19N3O3S
MolecularWeight: 357.42676
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H19N3O3S/c22-16(18-7-10-3-11(8-18)5-12(4-10)9-18)20-17-19-14-2-1-13(21(23)24)6-15(14)25-17/h1-2,6,10-12H,3-5,7-9H2,(H,19,20,22)


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