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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(=O)NCC(C1=CSC=C1)N2CCCCCC2

Isomeric SMILES

CC(C)CNC(=O)C(=O)NCC(C1=CSC=C1)N2CCCCCC2

InChI

InChI=1S/C18H29N3O2S/c1-14(2)11-19-17(22)18(23)20-12-16(15-7-10-24-13-15)21-8-5-3-4-6-9-21/h7,10,13-14,16H,3-6,8-9,11-12H2,1-2H3,(H,19,22)(H,20,23)