2-[(3,5-dimethylphenoxy)methyl]-N-[2-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(3-phenylpropanoylamino)cyclohexyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-[(1-oxo-3-phenylpropyl)amino]cyclohexyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(hydrocinnamoylamino)cyclohexyl]thiazole-4-carboxamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NC3CCCCC3NC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NC3CCCCC3NC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C28H33N3O3S/c1-19-14-20(2)16-22(15-19)34-17-27-30-25(18-35-27)28(33)31-24-11-7-6-10-23(24)29-26(32)13-12-21-8-4-3-5-9-21/h3-5,8-9,14-16,18,23-24H,6-7,10-13,17H2,1-2H3,(H,29,32)(H,31,33)