2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC=CN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O3S/c1-13(19(25)23-15-4-7-17-18(12-15)27-11-10-26-17)28-20-22-8-9-24(20)16-5-2-14(21)3-6-16/h2-9,12-13H,10-11H2,1H3,(H,23,25)