N-(1-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-(1-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-(1-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-(1-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-(1-adamantyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)C

InChI

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