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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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