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

Systemtic Name: N'-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]benzohydrazide Openeye Name: N'-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]benzohydrazide CAS Name: N'-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxopropyl]benzohydrazide IUPAC Name: N'-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]benzohydrazide Traditional Name: N'-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanoyl]benzohydrazide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NNC(=O)C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20N2O4S/c1-13(18(22)20-21-19(23)14-6-3-2-4-7-14)26-15-8-9-16-17(12-15)25-11-5-10-24-16/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,20,22)(H,21,23)/t13-/m1/s1