N-[2-(1-adamantyl)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(1-adamantyl)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[2-(1-adamantyl)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(1-adamantyl)ethyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c26-19(12-29-20-23-17-2-1-16(25(27)28)8-18(17)24-20)22-4-3-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,22,26)(H,23,24)