N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]adamantane-1-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitrophenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitrophenyl]adamantane-1-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]adamantane-1-carboxamide Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)[N+](=O)[O-]

InChI

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