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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-(3,4-dimethylphenyl)hexahydropyrimidin-3-ium-1-carbothioamide Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3S/c1-15-8-9-18(12-16(15)2)22-20(25)24-11-5-10-23(14-24)13-17-6-3-4-7-19(17)21/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,22,25)/p+1