2-[(4-bromophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]amino]ethanamide

Systemtic Name: 2-[(4-bromophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]amino]ethanamide Openeye Name: 2-[(4-bromophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]acetamide CAS Name: 2-[(4-bromophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]acetamide IUPAC Name: 2-[(4-bromophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]acetamide Traditional Name: 2-[(4-bromobenzyl)-[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:

C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CC3=CC=C(C=C3)Br)CC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CC3=CC=C(C=C3)Br)CC(=O)N

InChI

InChI=1S/C19H19BrN2O4S/c20-14-3-1-13(2-4-14)10-22(11-18(21)23)19(24)12-27-15-5-6-16-17(9-15)26-8-7-25-16/h1-6,9H,7-8,10-12H2,(H2,21,23)