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

Systemtic Name: 2-[2-(1-adamantyl)ethylsulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[2-(1-adamantyl)ethylsulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[2-(1-adamantyl)ethylthio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[2-(1-adamantyl)ethylsulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[2-(1-adamantyl)ethylthio]-N-(3,4-dimethylphenyl)acetamide Formula: C22H31NOS MolecularWeight: 357.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H31NOS/c1-15-3-4-20(7-16(15)2)23-21(24)14-25-6-5-22-11-17-8-18(12-22)10-19(9-17)13-22/h3-4,7,17-19H,5-6,8-14H2,1-2H3,(H,23,24)