2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-(4-ethyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-[4-(4-ethylpiperazino)phenyl]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C22H27N5OS/c1-4-26-9-11-27(12-10-26)19-7-5-18(6-8-19)25-21(28)15-29-22-20(14-23)16(2)13-17(3)24-22/h5-8,13H,4,9-12,15H2,1-3H3,(H,25,28)