5-[2-[butyl(pyridin-3-ylmethylsulfanyl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide

Systemtic Name: 5-[2-[butyl(pyridin-3-ylmethylsulfanyl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide Openeye Name: 5-[2-[butyl(3-pyridylmethylsulfanyl)amino]-1-hydroxy-ethyl]-2-hydroxy-benzamide CAS Name: 5-[2-[butyl-(3-pyridinylmethylthio)amino]-1-hydroxyethyl]-2-hydroxybenzamide IUPAC Name: 5-[2-[butyl(pyridin-3-ylmethylsulfanyl)amino]-1-hydroxyethyl]-2-hydroxybenzamide Traditional Name: 5-[2-[butyl-(3-pyridylmethylthio)amino]-1-hydroxy-ethyl]-2-hydroxy-benzamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(C1=CC(=C(C=C1)O)C(=O)N)O)SCC2=CN=CC=C2

Isomeric SMILES

CCCCN(CC(C1=CC(=C(C=C1)O)C(=O)N)O)SCC2=CN=CC=C2

InChI

InChI=1S/C19H25N3O3S/c1-2-3-9-22(26-13-14-5-4-8-21-11-14)12-18(24)15-6-7-17(23)16(10-15)19(20)25/h4-8,10-11,18,23-24H,2-3,9,12-13H2,1H3,(H2,20,25)