N'-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2-(2-oxidanylideneazepan-1-yl)ethanehydrazide

Systemtic Name: N'-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2-(2-oxidanylideneazepan-1-yl)ethanehydrazide Openeye Name: N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide CAS Name: N'-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2-(2-oxo-1-azepanyl)acetohydrazide IUPAC Name: N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide Traditional Name: N'-[2-(1,3-benzoxazol-2-ylthio)acetyl]-2-(2-ketoazepan-1-yl)acetohydrazide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H20N4O4S/c22-14(10-21-9-5-1-2-8-16(21)24)19-20-15(23)11-26-17-18-12-6-3-4-7-13(12)25-17/h3-4,6-7H,1-2,5,8-11H2,(H,19,22)(H,20,23)