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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-chloranyl-3-methyl-phenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-chloro-3-methyl-phenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-chloro-3-methylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-chloro-3-methyl-phenoxy)acetamide Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2S/c1-16-12-18(6-7-19(16)22)26-14-21(25)23-13-20(17-8-11-27-15-17)24-9-4-2-3-5-10-24/h6-8,11-12,15,20H,2-5,9-10,13-14H2,1H3,(H,23,25)