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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl-methyl-amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methyl-amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-methylamino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-methyl-amino]acetamide Formula: C20H21BrN2O4S MolecularWeight: 465.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4S/c1-13-9-14(21)3-5-16(13)22-19(24)11-23(2)20(25)12-28-15-4-6-17-18(10-15)27-8-7-26-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,24)