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

Systemtic Name: 3-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(2-fluorophenyl)methyl]-N-(m-tolyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(2-fluorobenzyl)-N-(m-tolyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C19H23FN3S+ MolecularWeight: 344.469423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H22FN3S/c1-15-6-4-8-17(12-15)21-19(24)23-11-5-10-22(14-23)13-16-7-2-3-9-18(16)20/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24)/p+1