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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-chlorophenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-chlorophenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(3-chlorophenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-chlorophenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-chlorophenyl)oxamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)Cl)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)Cl)C3=CSC=C3

InChI

InChI=1S/C20H24ClN3O2S/c21-16-6-5-7-17(12-16)23-20(26)19(25)22-13-18(15-8-11-27-14-15)24-9-3-1-2-4-10-24/h5-8,11-12,14,18H,1-4,9-10,13H2,(H,22,25)(H,23,26)