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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-chloranyl-2-methyl-phenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-chloro-2-methyl-phenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(3-chloro-2-methylphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-chloro-2-methylphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-chloro-2-methyl-phenyl)oxamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H26ClN3O2S/c1-15-17(22)7-6-8-18(15)24-21(27)20(26)23-13-19(16-9-12-28-14-16)25-10-4-2-3-5-11-25/h6-9,12,14,19H,2-5,10-11,13H2,1H3,(H,23,26)(H,24,27)