3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide

Systemtic Name: 3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide Openeye Name: 3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)hexahydropyrimidine-1-carbothioamide CAS Name: 3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide IUPAC Name: 3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide Traditional Name: 3-(3-chlorobenzyl)-N-p-phenetyl-hexahydropyrimidine-1-carbothioamide Formula: C20H24ClN3OS MolecularWeight: 389.94206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3OS/c1-2-25-19-9-7-18(8-10-19)22-20(26)24-12-4-11-23(15-24)14-16-5-3-6-17(21)13-16/h3,5-10,13H,2,4,11-12,14-15H2,1H3,(H,22,26)