N-(2-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-(2-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-(2-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-(2-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-(2-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-(2-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C25H31NO2S MolecularWeight: 409.58414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC2=CSC(=C2)C(=O)NC3C4CC5CC(C4)CC3C5)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC2=CSC(=C2)C(=O)NC3C4CC5CC(C4)CC3C5)C)C

InChI

InChI=1S/C25H31NO2S/c1-14-4-15(2)16(3)22(5-14)28-12-19-11-23(29-13-19)25(27)26-24-20-7-17-6-18(9-20)10-21(24)8-17/h4-5,11,13,17-18,20-21,24H,6-10,12H2,1-3H3,(H,26,27)