3-[(2-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-[3-(methylthio)phenyl]-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-[3-(methylthio)phenyl]hexahydropyrimidin-3-ium-1-carbothioamide Formula: C19H23ClN3S2+ MolecularWeight: 392.98902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H22ClN3S2/c1-25-17-8-4-7-16(12-17)21-19(24)23-11-5-10-22(14-23)13-15-6-2-3-9-18(15)20/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24)/p+1