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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-14(20(25)23-15-6-7-18-19(12-15)28-11-10-27-18)29-21-22-8-9-24(21)16-4-3-5-17(13-16)26-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)