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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)azocane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)azocane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-azocanecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)azocane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)azocane-1-carbothioamide Formula: C14H18ClFN2S MolecularWeight: 300.822523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CCCN(CCC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H18ClFN2S/c15-12-10-11(6-7-13(12)16)17-14(19)18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9H2,(H,17,19)