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

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-chloranyl-3-methyl-phenoxy)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-2-(4-chloro-3-methyl-phenoxy)acetamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-2-(4-chloro-3-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chloro-3-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-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=CC=CS2)N3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC[C@@H](C2=CC=CS2)N3CCCCCC3)Cl

InChI

InChI=1S/C21H27ClN2O2S/c1-16-13-17(8-9-18(16)22)26-15-21(25)23-14-19(20-7-6-12-27-20)24-10-4-2-3-5-11-24/h6-9,12-13,19H,2-5,10-11,14-15H2,1H3,(H,23,25)/t19-/m0/s1