N-[[2-acetamido-4-methoxy-5-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]phenyl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[2-acetamido-4-methoxy-5-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]phenyl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[[2-acetamido-4-methoxy-5-[[[2-(2-pyridylsulfanyl)acetyl]amino]methyl]phenyl]methyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[[2-acetamido-4-methoxy-5-[[[1-oxo-2-(2-pyridinylthio)ethyl]amino]methyl]phenyl]methyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[[2-acetamido-4-methoxy-5-[[(2-pyridin-2-ylsulfanylacetyl)amino]methyl]phenyl]methyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-acetamido-4-methoxy-5-[[[2-(2-pyridylthio)acetyl]amino]methyl]benzyl]-2-(2-pyridylthio)acetamide Formula: C25H27N5O4S2 MolecularWeight: 525.64298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1CNC(=O)CSC2=CC=CC=N2)CNC(=O)CSC3=CC=CC=N3)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1CNC(=O)CSC2=CC=CC=N2)CNC(=O)CSC3=CC=CC=N3)OC

InChI

InChI=1S/C25H27N5O4S2/c1-17(31)30-20-12-21(34-2)19(14-29-23(33)16-36-25-8-4-6-10-27-25)11-18(20)13-28-22(32)15-35-24-7-3-5-9-26-24/h3-12H,13-16H2,1-2H3,(H,28,32)(H,29,33)(H,30,31)