ethyl 4-[[3-[(2,5-dimethylphenyl)methyl]-1,3-diazinan-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-[(2,5-dimethylphenyl)methyl]-1,3-diazinan-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[3-[(2,5-dimethylphenyl)methyl]hexahydropyrimidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[3-[(2,5-dimethylphenyl)methyl]-1,3-diazinan-1-yl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioyl]amino]benzoate Traditional Name: 4-[[3-(2,5-dimethylbenzyl)hexahydropyrimidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-4-28-22(27)19-8-10-21(11-9-19)24-23(29)26-13-5-12-25(16-26)15-20-14-17(2)6-7-18(20)3/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,29)