N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(4-fluorobenzyl)-N-o-phenetyl-hexahydropyrimidin-3-ium-1-carbothioamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCC[NH+](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3OS/c1-2-25-19-7-4-3-6-18(19)22-20(26)24-13-5-12-23(15-24)14-16-8-10-17(21)11-9-16/h3-4,6-11H,2,5,12-15H2,1H3,(H,22,26)/p+1