N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]adamantane-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]adamantane-1-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]adamantane-1-carboxamide Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O3S2/c28-22(24-11-14-5-15(12-24)7-16(6-14)13-24)25-17-8-18(27(29)30)10-19(9-17)31-23-26-20-3-1-2-4-21(20)32-23/h1-4,8-10,14-16H,5-7,11-13H2,(H,25,28)