N-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-1,4,5-oxadiazepane-4-carbothioamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-1,4,5-oxadiazepane-4-carbothioamide Openeye Name: N-(4-chloro-2-fluoro-5-methoxy-phenyl)-1,4,5-oxadiazepane-4-carbothioamide CAS Name: N-(4-chloro-2-fluoro-5-methoxyphenyl)-1,4,5-oxadiazepane-4-carbothioamide IUPAC Name: N-(4-chloro-2-fluoro-5-methoxyphenyl)-1,4,5-oxadiazepane-4-carbothioamide Traditional Name: N-(4-chloro-2-fluoro-5-methoxy-phenyl)-1,4,5-oxadiazepane-4-carbothioamide Formula: C12H15ClFN3O2S MolecularWeight: 319.782803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=S)N2CCOCCN2)F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=S)N2CCOCCN2)F)Cl

InChI

InChI=1S/C12H15ClFN3O2S/c1-18-11-7-10(9(14)6-8(11)13)16-12(20)17-3-5-19-4-2-15-17/h6-7,15H,2-5H2,1H3,(H,16,20)