2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)cinchoninamide Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)N)OC1

InChI

InChI=1S/C19H16N2O3S/c20-19(22)14-11-18(21-15-5-2-1-4-13(14)15)25-12-6-7-16-17(10-12)24-9-3-8-23-16/h1-2,4-7,10-11H,3,8-9H2,(H2,20,22)