N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-2-(2-methylphenoxy)acetamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NCC(C2=CC=CS2)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC[C@@H](C2=CC=CS2)N3CCCCCC3

InChI

InChI=1S/C21H28N2O2S/c1-17-9-4-5-10-19(17)25-16-21(24)22-15-18(20-11-8-14-26-20)23-12-6-2-3-7-13-23/h4-5,8-11,14,18H,2-3,6-7,12-13,15-16H2,1H3,(H,22,24)/t18-/m0/s1