N-[3-methyl-5-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-methyl-5-(2-pyridin-2-ylsulfanylethanoylamino)phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-methyl-5-[[2-(2-pyridylsulfanyl)acetyl]amino]phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[3-methyl-5-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[3-methyl-5-[[2-(2-pyridylthio)acetyl]amino]phenyl]-2-(2-pyridylthio)acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=CC=CC=N2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=CC=CC=N2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H20N4O2S2/c1-15-10-16(24-18(26)13-28-20-6-2-4-8-22-20)12-17(11-15)25-19(27)14-29-21-7-3-5-9-23-21/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)