N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-chloro-3,5-dimethyl-phenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-chloro-3,5-dimethyl-phenoxy)acetamide Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C22H29ClN2O2S/c1-16-11-19(12-17(2)22(16)23)27-14-21(26)24-13-20(18-7-10-28-15-18)25-8-5-3-4-6-9-25/h7,10-12,15,20H,3-6,8-9,13-14H2,1-2H3,(H,24,26)