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4-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

4-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name:4-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Openeye Name:4-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CAS Name:4-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
IUPAC Name:4-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Traditional Name:4-(1-adamantyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Formula: C24H23N3O3S
MolecularWeight: 433.52272
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]


InChI

InChI=1S/C24H23N3O3S/c28-22(26-23-25-20-6-5-19(27(29)30)10-21(20)31-23)17-1-3-18(4-2-17)24-11-14-7-15(12-24)9-16(8-14)13-24/h1-6,10,14-16H,7-9,11-13H2,(H,25,26,28)


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