N-[3,5-bis(fluoranyl)phenyl]-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3,5-difluorophenyl)-3-[(2-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3,5-difluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3,5-difluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(3,5-difluorophenyl)-3-(2-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=CC=C3F

Isomeric SMILES

C1C[NH+](CN(C1)C(=S)NC2=CC(=CC(=C2)F)F)CC3=CC=CC=C3F

InChI

InChI=1S/C18H18F3N3S/c19-14-8-15(20)10-16(9-14)22-18(25)24-7-3-6-23(12-24)11-13-4-1-2-5-17(13)21/h1-2,4-5,8-10H,3,6-7,11-12H2,(H,22,25)/p+1