N-[2,4-bis(fluoranyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-(2-hydroxyethyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide Formula: C13H17F2N3OS MolecularWeight: 301.355386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=S)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

C1CN(CCN1CCO)C(=S)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H17F2N3OS/c14-10-1-2-12(11(15)9-10)16-13(20)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2,(H,16,20)