2-[2-(1-adamantylsulfanyl)ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(1-adamantylsulfanyl)ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[2-(1-adamantylthio)-1-oxoethyl]amino]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[2-(1-adamantylthio)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Formula: C22H30N2O2S MolecularWeight: 386.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H30N2O2S/c1-14-4-3-5-19(15(14)2)24-20(25)12-23-21(26)13-27-22-9-16-6-17(10-22)8-18(7-16)11-22/h3-5,16-18H,6-13H2,1-2H3,(H,23,26)(H,24,25)