3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethanoylphenyl)propanamide

Systemtic Name: 3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-(3-acetylphenyl)-3-[3-[(1,3-benzoxazol-2-ylthio)methyl]-1,2,4-oxadiazol-5-yl]propanamide IUPAC Name: N-(3-acetylphenyl)-3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanamide Traditional Name: N-(3-acetylphenyl)-3-[3-[(1,3-benzoxazol-2-ylthio)methyl]-1,2,4-oxadiazol-5-yl]propionamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC(=NO2)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC(=NO2)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N4O4S/c1-13(26)14-5-4-6-15(11-14)22-19(27)9-10-20-24-18(25-29-20)12-30-21-23-16-7-2-3-8-17(16)28-21/h2-8,11H,9-10,12H2,1H3,(H,22,27)