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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(2-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-(2-fluorobenzyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C19H22ClFN3OS+ MolecularWeight: 394.913883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H21ClFN3OS/c1-25-18-8-7-15(20)11-17(18)22-19(26)24-10-4-9-23(13-24)12-14-5-2-3-6-16(14)21/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,22,26)/p+1