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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-methylquinolin-4-yl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-methyl-4-quinolyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2-methyl-4-quinolinyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylquinolin-4-yl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-methyl-4-quinolyl)oxamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-17-14-21(19-8-4-5-9-20(19)26-17)27-24(30)23(29)25-15-22(18-10-13-31-16-18)28-11-6-2-3-7-12-28/h4-5,8-10,13-14,16,22H,2-3,6-7,11-12,15H2,1H3,(H,25,29)(H,26,27,30)