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

Systemtic Name: N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H27N3O2S/c1-13-4-3-5-18(14(13)2)27-12-19-24-25-21(28-19)23-20(26)22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,15-17H,6-12H2,1-2H3,(H,23,25,26)