N-(4-bromanyl-2-methyl-phenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]acetamide Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

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