3-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-mesityl-hexahydropyrimidin-3-ium-1-carbothioamide Formula: C21H27ClN3S+ MolecularWeight: 388.97718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H26ClN3S/c1-15-11-16(2)20(17(3)12-15)23-21(26)25-10-6-9-24(14-25)13-18-7-4-5-8-19(18)22/h4-5,7-8,11-12H,6,9-10,13-14H2,1-3H3,(H,23,26)/p+1