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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NCC(C2=CC=CS2)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NCC(C2=CC=CS2)N3CCCCCC3)C

InChI

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