N-(4-chloranyl-3-fluoranyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-3-fluoranyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(4-chloro-3-fluoro-phenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(4-chloro-3-fluorophenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-3-fluorophenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(4-chloro-3-fluoro-phenyl)-4-formyl-piperazine-1-carbothioamide Formula: C12H13ClFN3OS MolecularWeight: 301.767523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C12H13ClFN3OS/c13-10-2-1-9(7-11(10)14)15-12(19)17-5-3-16(8-18)4-6-17/h1-2,7-8H,3-6H2,(H,15,19)