3-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]acetyl]amino]-N-methyl-benzamide Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C19H19BrN2O4S/c1-21-19(24)12-3-2-4-14(7-12)22-18(23)11-27-10-13-8-16-17(9-15(13)20)26-6-5-25-16/h2-4,7-9H,5-6,10-11H2,1H3,(H,21,24)(H,22,23)