N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-(5-veratryl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H27N3O3S/c1-27-17-4-3-13(8-18(17)28-2)9-19-24-25-21(29-19)23-20(26)22-10-14-5-15(11-22)7-16(6-14)12-22/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,23,25,26)