5-[(3,4-dimethylphenoxy)methyl]-N-[(3-methylsulfanylphenyl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[(3-methylsulfanylphenyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[(3-methylsulfanylphenyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[[3-(methylthio)phenyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[(3-methylsulfanylphenyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[3-(methylthio)benzyl]isoxazole-3-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3=CC(=CC=C3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C21H22N2O3S/c1-14-7-8-17(9-15(14)2)25-13-18-11-20(23-26-18)21(24)22-12-16-5-4-6-19(10-16)27-3/h4-11H,12-13H2,1-3H3,(H,22,24)