N-(3-chloranyl-4-fluoranyl-phenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-benzyl-N-(3-chloro-4-fluoro-phenyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-benzyl-N-(3-chloro-4-fluorophenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-benzyl-N-(3-chloro-4-fluoro-phenyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C18H20ClFN3S+ MolecularWeight: 364.887903

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3S/c19-16-11-15(7-8-17(16)20)21-18(24)23-10-4-9-22(13-23)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)/p+1