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

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C21H25N3O3S/c1-26-16-4-3-15(8-17(16)27-2)18-23-24-20(28-18)22-19(25)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,22,24,25)