2-[(3,5-dimethylphenoxy)methyl]-N-[2-(2-thiophen-2-ylethanoylamino)ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(2-thiophen-2-ylethanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-[[2-(2-thienyl)acetyl]amino]ethyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-[(1-oxo-2-thiophen-2-ylethyl)amino]ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-[[2-(2-thienyl)acetyl]amino]ethyl]thiazole-4-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCNC(=O)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCCNC(=O)CC3=CC=CS3)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-8-15(2)10-16(9-14)27-12-20-24-18(13-29-20)21(26)23-6-5-22-19(25)11-17-4-3-7-28-17/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,22,25)(H,23,26)