3-pyridin-2-ylsulfanyl-N-[4-(3-pyridin-2-ylsulfanylpropanoylamino)butyl]propanamide

Systemtic Name: 3-pyridin-2-ylsulfanyl-N-[4-(3-pyridin-2-ylsulfanylpropanoylamino)butyl]propanamide Openeye Name: 3-(2-pyridylsulfanyl)-N-[4-[3-(2-pyridylsulfanyl)propanoylamino]butyl]propanamide CAS Name: N-[4-[[1-oxo-3-(2-pyridinylthio)propyl]amino]butyl]-3-(2-pyridinylthio)propanamide IUPAC Name: 3-pyridin-2-ylsulfanyl-N-[4-(3-pyridin-2-ylsulfanylpropanoylamino)butyl]propanamide Traditional Name: 3-(2-pyridylthio)-N-[4-[3-(2-pyridylthio)propanoylamino]butyl]propionamide Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCC(=O)NCCCCNC(=O)CCSC2=CC=CC=N2

Isomeric SMILES

C1=CC=NC(=C1)SCCC(=O)NCCCCNC(=O)CCSC2=CC=CC=N2

InChI

InChI=1S/C20H26N4O2S2/c25-17(9-15-27-19-7-1-3-13-23-19)21-11-5-6-12-22-18(26)10-16-28-20-8-2-4-14-24-20/h1-4,7-8,13-14H,5-6,9-12,15-16H2,(H,21,25)(H,22,26)