N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(3-chloro-4-fluoro-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(3-chloro-4-fluorophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(3-chloro-4-fluorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(3-chloro-4-fluoro-phenyl)-1,4-diazepane-1-carbothioamide Formula: C14H17ClFN3OS MolecularWeight: 329.820683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H17ClFN3OS/c1-10(20)18-5-2-6-19(8-7-18)14(21)17-11-3-4-13(16)12(15)9-11/h3-4,9H,2,5-8H2,1H3,(H,17,21)