N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(4-ethoxyphenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(4-ethoxyphenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(4-ethoxyphenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(4-ethoxyphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(4-ethoxyphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-p-phenetyl-oxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-2-28-19-9-7-18(8-10-19)24-22(27)21(26)23-15-20(17-11-14-29-16-17)25-12-5-3-4-6-13-25/h7-11,14,16,20H,2-6,12-13,15H2,1H3,(H,23,26)(H,24,27)