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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-28-19-8-6-7-17(13-19)14-23-21(26)22(27)24-15-20(18-9-12-29-16-18)25-10-4-2-3-5-11-25/h6-9,12-13,16,20H,2-5,10-11,14-15H2,1H3,(H,23,26)(H,24,27)