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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromanyl-N-(phenylmethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-bromo-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromo-N-(phenylmethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-bromobenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-4-bromo-benzamide Formula: C26H26BrN3OS MolecularWeight: 508.47314

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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)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N(CC5=CC=CC=C5)C(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C26H26BrN3OS/c27-22-8-6-21(7-9-22)23(31)30(16-17-4-2-1-3-5-17)25-29-28-24(32-25)26-13-18-10-19(14-26)12-20(11-18)15-26/h1-9,18-20H,10-16H2