N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzamide Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H19BrN2O4S/c1-12-15(13(2)28-24-12)11-29-20-6-4-3-5-14(20)21(25)23-17-10-19-18(9-16(17)22)26-7-8-27-19/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,25)