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

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)hexahydropyrimidine-1-carbothioamide CAS Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide Traditional Name: 3-(2,5-dimethylbenzyl)-N-p-phenetyl-hexahydropyrimidine-1-carbothioamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-4-26-21-10-8-20(9-11-21)23-22(27)25-13-5-12-24(16-25)15-19-14-17(2)6-7-18(19)3/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,23,27)