N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-4-fluoranyl-benzohydrazide

Systemtic Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-4-fluoranyl-benzohydrazide Openeye Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-4-fluoro-benzohydrazide CAS Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-4-fluorobenzohydrazide IUPAC Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-4-fluorobenzohydrazide Traditional Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-4-fluoro-benzohydrazide Formula: C18H17FN2O4S MolecularWeight: 376.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NNC(=O)C3=CC=C(C=C3)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NNC(=O)C3=CC=C(C=C3)F)OC1

InChI

InChI=1S/C18H17FN2O4S/c19-13-4-2-12(3-5-13)18(23)21-20-17(22)11-26-14-6-7-15-16(10-14)25-9-1-8-24-15/h2-7,10H,1,8-9,11H2,(H,20,22)(H,21,23)