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

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(2-methylpropanoylamino)propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(2-methylpropanoylamino)propyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-[(2-methyl-1-oxopropyl)amino]propyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(2-methylpropanoylamino)propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(isobutyrylamino)propyl]thiazole-4-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCCNC(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCCNC(=O)C(C)C)C

InChI

InChI=1S/C20H27N3O3S/c1-13(2)19(24)21-6-5-7-22-20(25)17-12-27-18(23-17)11-26-16-9-14(3)8-15(4)10-16/h8-10,12-13H,5-7,11H2,1-4H3,(H,21,24)(H,22,25)