3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)hexahydropyrimidine-1-carbothioamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1,3-diazinane-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-(3,5-dimethylphenyl)hexahydropyrimidine-1-carbothioamide Formula: C20H24ClN3S MolecularWeight: 373.94266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC=CC=C3Cl)C

InChI

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