N-[2-cyano-4-[[3-cyano-4-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]methyl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-cyano-4-[[3-cyano-4-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]methyl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-cyano-4-[[3-cyano-4-[[2-(2-pyridylsulfanyl)acetyl]amino]phenyl]methyl]phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-cyano-4-[[3-cyano-4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]phenyl]methyl]phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-cyano-4-[[3-cyano-4-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]methyl]phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-cyano-4-[3-cyano-4-[[2-(2-pyridylthio)acetyl]amino]benzyl]phenyl]-2-(2-pyridylthio)acetamide Formula: C29H22N6O2S2 MolecularWeight: 550.65398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)CSC4=CC=CC=N4)C#N)C#N

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)CSC4=CC=CC=N4)C#N)C#N

InChI

InChI=1S/C29H22N6O2S2/c30-16-22-14-20(7-9-24(22)34-26(36)18-38-28-5-1-3-11-32-28)13-21-8-10-25(23(15-21)17-31)35-27(37)19-39-29-6-2-4-12-33-29/h1-12,14-15H,13,18-19H2,(H,34,36)(H,35,37)