3-chloranyl-N'-(4-thiophen-2-ylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Systemtic Name: 3-chloranyl-N'-(4-thiophen-2-ylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-[4-(2-thienyl)butanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-(1-oxo-4-thiophen-2-ylbutyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(4-thiophen-2-ylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-[4-(2-thienyl)butanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCC4=CC=CS4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCC4=CC=CS4)C=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3O3S/c23-16-10-11-20-18(13-16)26(14-15-5-1-2-8-19(15)29-20)22(28)25-24-21(27)9-3-6-17-7-4-12-30-17/h1-2,4-5,7-8,10-13H,3,6,9,14H2,(H,24,27)(H,25,28)