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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-(3,4-dimethoxyphenyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C20H25ClN3O2S+ MolecularWeight: 406.9494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCC[NH+](C2)CC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C20H24ClN3O2S/c1-25-18-9-8-16(12-19(18)26-2)22-20(27)24-11-5-10-23(14-24)13-15-6-3-4-7-17(15)21/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,22,27)/p+1