N-[3,5-bis(fluoranyl)phenyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(3,5-difluorophenyl)-3-(4-fluorobenzyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C18H19F3N3S+ MolecularWeight: 366.42377

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CN(C1)C(=S)NC2=CC(=CC(=C2)F)F)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CN(C1)C(=S)NC2=CC(=CC(=C2)F)F)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18F3N3S/c19-14-4-2-13(3-5-14)11-23-6-1-7-24(12-23)18(25)22-17-9-15(20)8-16(21)10-17/h2-5,8-10H,1,6-7,11-12H2,(H,22,25)/p+1