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

Systemtic Name: N-(3-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-3-[(2-fluorophenyl)methyl]hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-3-(2-fluorobenzyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C20H25FN3S+ MolecularWeight: 358.496003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3S/c1-2-16-7-5-9-18(13-16)22-20(25)24-12-6-11-23(15-24)14-17-8-3-4-10-19(17)21/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H,22,25)/p+1