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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxy-N-methyl-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxy-N-methyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxy-N-methylbenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxy-N-methylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxy-N-methyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C=C(C=C5)OC)OC

Isomeric SMILES

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C=C(C=C5)OC)OC

InChI

InChI=1S/C22H27N3O3S/c1-25(19(26)17-5-4-16(27-2)9-18(17)28-3)21-24-23-20(29-21)22-10-13-6-14(11-22)8-15(7-13)12-22/h4-5,9,13-15H,6-8,10-12H2,1-3H3