N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxidanyl-1-adamantyl)ethanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-hydroxy-1-adamantyl)acetamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(3-hydroxy-1-adamantyl)acetamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-hydroxy-1-adamantyl)acetamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(3-hydroxy-1-adamantyl)acetamide Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C26H31NO2S/c1-17-3-6-23(9-18(17)2)30-22-7-4-21(5-8-22)27-24(28)15-25-11-19-10-20(12-25)14-26(29,13-19)16-25/h3-9,19-20,29H,10-16H2,1-2H3,(H,27,28)