2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[3-(1-oxopropylamino)phenyl]benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(3-propionamidophenyl)benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

InChI

InChI=1S/C22H23N3O3S/c1-4-21(26)23-16-8-7-9-17(12-16)24-22(27)18-10-5-6-11-20(18)29-13-19-14(2)25-28-15(19)3/h5-12H,4,13H2,1-3H3,(H,23,26)(H,24,27)