N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethoxyphenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethoxyphenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-ethoxyphenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2-ethoxyphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-ethoxyphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-o-phenetyl-oxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

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