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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-ethyl-piperazine-1-carbothioamide Formula: C14H19ClFN3S MolecularWeight: 315.837163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClFN3S/c1-2-17-14(20)19-7-5-18(6-8-19)10-11-3-4-13(16)12(15)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,17,20)