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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-cyanophenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-cyanophenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2-cyanophenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-cyanophenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-cyanophenyl)oxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC=CC=C2C#N)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC=CC=C2C#N)C3=CSC=C3

InChI

InChI=1S/C21H24N4O2S/c22-13-16-7-3-4-8-18(16)24-21(27)20(26)23-14-19(17-9-12-28-15-17)25-10-5-1-2-6-11-25/h3-4,7-9,12,15,19H,1-2,5-6,10-11,14H2,(H,23,26)(H,24,27)