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

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[4-(propanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[4-(propanoylamino)cyclohexyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[4-(1-oxopropylamino)cyclohexyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[4-(propanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-(4-propionamidocyclohexyl)thiazole-4-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CCC(CC1)NC(=O)C2=CSC(=N2)COC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC(=O)NC1CCC(CC1)NC(=O)C2=CSC(=N2)COC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H29N3O3S/c1-4-20(26)23-16-5-7-17(8-6-16)24-22(27)19-13-29-21(25-19)12-28-18-10-14(2)9-15(3)11-18/h9-11,13,16-17H,4-8,12H2,1-3H3,(H,23,26)(H,24,27)