N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(2,3,5-trimethylphenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(2,3,5-trimethylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(2,3,5-trimethylphenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(2,3,5-trimethylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2,3,5-trimethylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(2,3,5-trimethylphenoxy)acetamide Formula: C23H32N2O2S MolecularWeight: 400.57738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)NCC(C2=CSC=C2)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)NCC(C2=CSC=C2)N3CCCCCC3)C)C

InChI

InChI=1S/C23H32N2O2S/c1-17-12-18(2)19(3)22(13-17)27-15-23(26)24-14-21(20-8-11-28-16-20)25-9-6-4-5-7-10-25/h8,11-13,16,21H,4-7,9-10,14-15H2,1-3H3,(H,24,26)