3-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-diazinane-1-carbothioamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-diazinane-1-carbothioamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)hexahydropyrimidine-1-carbothioamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-diazinane-1-carbothioamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-diazinane-1-carbothioamide Traditional Name: 3-(2-chlorobenzyl)-N-(2,6-dimethylphenyl)hexahydropyrimidine-1-carbothioamide Formula: C20H24ClN3S MolecularWeight: 373.94266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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