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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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