N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-8-oxidanyl-quinoline-7-carboxamide

Systemtic Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-8-oxidanyl-quinoline-7-carboxamide Openeye Name: 8-hydroxy-N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]quinoline-7-carboxamide CAS Name: 8-hydroxy-N-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]-7-quinolinecarboxamide IUPAC Name: 8-hydroxy-N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]quinoline-7-carboxamide Traditional Name: 8-hydroxy-N-[2-[(2-methylolphenyl)thio]benzyl]quinoline-7-carboxamide Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=C(C3=C(C=CC=N3)C=C2)O)SC4=CC=CC=C4CO

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=C(C3=C(C=CC=N3)C=C2)O)SC4=CC=CC=C4CO

InChI

InChI=1S/C24H20N2O3S/c27-15-18-7-2-4-10-21(18)30-20-9-3-1-6-17(20)14-26-24(29)19-12-11-16-8-5-13-25-22(16)23(19)28/h1-13,27-28H,14-15H2,(H,26,29)