N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(2-chlorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-(3-chloro-4-fluoro-phenyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C18H19Cl2FN3S+ MolecularWeight: 399.332963

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

C1C[NH+](CN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H18Cl2FN3S/c19-15-5-2-1-4-13(15)11-23-8-3-9-24(12-23)18(25)22-14-6-7-17(21)16(20)10-14/h1-2,4-7,10H,3,8-9,11-12H2,(H,22,25)/p+1