N-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-piperidine-1-carbothioamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1CCCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H16ClFN2S/c1-9-3-2-6-17(8-9)13(18)16-10-4-5-12(15)11(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)