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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O4S/c1-27-16-7-15(8-17(28-2)18(16)29-3)19(26)23-21-25-24-20(30-21)22-9-12-4-13(10-22)6-14(5-12)11-22/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,23,25,26)