N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(5-chloranyl-2-cyano-phenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(5-chloranyl-2-cyano-phenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(5-chloro-2-cyano-phenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(5-chloro-2-cyanophenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(5-chloro-2-cyanophenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(5-chloro-2-cyano-phenyl)oxamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O2S/c22-17-6-5-15(12-23)18(11-17)25-21(28)20(27)24-13-19(16-7-10-29-14-16)26-8-3-1-2-4-9-26/h5-7,10-11,14,19H,1-4,8-9,13H2,(H,24,27)(H,25,28)