N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3-(3,5-dimethylphenoxy)propanamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(3,5-dimethylphenoxy)propionamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)NC(=O)C)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)NC(=O)C)F)C

InChI

InChI=1S/C22H22FN3O3S/c1-13-8-14(2)10-17(9-13)29-7-6-21(28)26-22-25-20(12-30-22)18-5-4-16(11-19(18)23)24-15(3)27/h4-5,8-12H,6-7H2,1-3H3,(H,24,27)(H,25,26,28)