N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-[(3-methylisoxazol-5-yl)methylsulfanyl]benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-[(3-methyl-5-isoxazolyl)methylthio]benzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-[(3-methylisoxazol-5-yl)methylthio]benzamide Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C22H23BrN2O4S/c1-14-10-16(29-25-14)13-30-21-7-5-4-6-17(21)22(26)24-9-8-15-11-19(27-2)20(28-3)12-18(15)23/h4-7,10-12H,8-9,13H2,1-3H3,(H,24,26)