2-[2-(4-methoxyphenyl)azepan-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide

Systemtic Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide Openeye Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide CAS Name: 2-[2-(4-methoxyphenyl)-1-azepanyl]-N-[oxo-(2-thiophen-2-ylethylamino)methyl]acetamide IUPAC Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide Traditional Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C22H29N3O3S/c1-28-18-10-8-17(9-11-18)20-7-3-2-4-14-25(20)16-21(26)24-22(27)23-13-12-19-6-5-15-29-19/h5-6,8-11,15,20H,2-4,7,12-14,16H2,1H3,(H2,23,24,26,27)