4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-methyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-methyl-piperazine-1-carbothioamide Formula: C13H17ClFN3S MolecularWeight: 301.810583

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H17ClFN3S/c1-16-13(19)18-6-4-17(5-7-18)9-10-2-3-12(15)11(14)8-10/h2-3,8H,4-7,9H2,1H3,(H,16,19)