2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O2S/c1-26-20-6-3-2-5-19(20)24(8-4-7-23)21(25)15-27-22-12-16-9-17(13-22)11-18(10-16)14-22/h2-3,5-6,16-18H,4,8-15H2,1H3