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

Systemtic Name: N'-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N-butyl-ethanediamide Openeye Name: N'-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N-butyl-oxamide CAS Name: N'-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N-butyloxamide IUPAC Name: N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-butyloxamide Traditional Name: N'-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N-butyl-oxamide Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=O)NCC(C1=CSC=C1)N2CCCCCC2

Isomeric SMILES

CCCCNC(=O)C(=O)NCC(C1=CSC=C1)N2CCCCCC2

InChI

InChI=1S/C18H29N3O2S/c1-2-3-9-19-17(22)18(23)20-13-16(15-8-12-24-14-15)21-10-6-4-5-7-11-21/h8,12,14,16H,2-7,9-11,13H2,1H3,(H,19,22)(H,20,23)