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

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(3-phenylpropanoylamino)propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(3-phenylpropanoylamino)propyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-[(1-oxo-3-phenylpropyl)amino]propyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(3-phenylpropanoylamino)propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[3-(hydrocinnamoylamino)propyl]thiazole-4-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCCNC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCCNC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O3S/c1-18-13-19(2)15-21(14-18)31-16-24-28-22(17-32-24)25(30)27-12-6-11-26-23(29)10-9-20-7-4-3-5-8-20/h3-5,7-8,13-15,17H,6,9-12,16H2,1-2H3,(H,26,29)(H,27,30)