N-(3-chloranyl-4-fluoranyl-phenyl)azepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)azepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)azepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-azepanecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)azepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)azepane-1-carbothioamide Formula: C13H16ClFN2S MolecularWeight: 286.795943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H16ClFN2S/c14-11-9-10(5-6-12(11)15)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18)