5-[(2-methylsulfanylphenoxy)methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-(3-phenylpropyl)isoxazole-3-carboxamide CAS Name: 5-[[2-(methylthio)phenoxy]methyl]-N-(3-phenylpropyl)-3-isoxazolecarboxamide IUPAC Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[[2-(methylthio)phenoxy]methyl]-N-(3-phenylpropyl)isoxazole-3-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-27-20-12-6-5-11-19(20)25-15-17-14-18(23-26-17)21(24)22-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13,15H2,1H3,(H,22,24)