N-[3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC6=C(N5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC6=C(N5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O4S/c32-23(14-36-25-29-21-5-4-20(31(34)35)10-22(21)30-25)27-18-2-1-3-19(9-18)28-24(33)26-11-15-6-16(12-26)8-17(7-15)13-26/h1-5,9-10,15-17H,6-8,11-14H2,(H,27,32)(H,28,33)(H,29,30)