N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-nitro-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-nitrobenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-nitro-benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N(CC5=CC=CC=C5)C(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N(CC5=CC=CC=C5)C(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O3S/c31-23(21-6-8-22(9-7-21)30(32)33)29(16-17-4-2-1-3-5-17)25-28-27-24(34-25)26-13-18-10-19(14-26)12-20(11-18)15-26/h1-9,18-20H,10-16H2