3-[(2,5-dimethylphenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinane-1-carbothioamide

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinane-1-carbothioamide Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-methoxyphenyl)hexahydropyrimidine-1-carbothioamide CAS Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinane-1-carbothioamide IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-methoxyphenyl)-1,3-diazinane-1-carbothioamide Traditional Name: 3-(2,5-dimethylbenzyl)-N-(4-methoxyphenyl)hexahydropyrimidine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2CCCN(C2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2CCCN(C2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3OS/c1-16-5-6-17(2)18(13-16)14-23-11-4-12-24(15-23)21(26)22-19-7-9-20(25-3)10-8-19/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,22,26)