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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-N-methyl-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-N-methyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-N-methylbenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-N-methylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-N-methyl-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(C)C2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(C)C2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2S/c1-3-27-18-6-4-17(5-7-18)19(26)25(2)21-24-23-20(28-21)22-11-14-8-15(12-22)10-16(9-14)13-22/h4-7,14-16H,3,8-13H2,1-2H3