N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(3,4-dimethylphenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide Formula: C22H30N2O2S MolecularWeight: 386.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-17-7-8-20(13-18(17)2)26-15-22(25)23-14-21(19-9-12-27-16-19)24-10-5-3-4-6-11-24/h7-9,12-13,16,21H,3-6,10-11,14-15H2,1-2H3,(H,23,25)