N-[[2-(phenylmethyl)-6-prop-2-enylsulfanyl-1,4-benzodioxin-3-yl]methyl]ethanamide

Systemtic Name: N-[[2-(phenylmethyl)-6-prop-2-enylsulfanyl-1,4-benzodioxin-3-yl]methyl]ethanamide Openeye Name: N-[(6-allylsulfanyl-2-benzyl-1,4-benzodioxin-3-yl)methyl]acetamide CAS Name: N-[[2-(phenylmethyl)-6-(prop-2-enylthio)-1,4-benzodioxin-3-yl]methyl]acetamide IUPAC Name: N-[(2-benzyl-6-prop-2-enylsulfanyl-1,4-benzodioxin-3-yl)methyl]acetamide Traditional Name: N-[[6-(allylthio)-2-benzyl-1,4-benzodioxin-3-yl]methyl]acetamide Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)SCC=C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)SCC=C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-3-11-26-17-9-10-18-20(13-17)25-21(14-22-15(2)23)19(24-18)12-16-7-5-4-6-8-16/h3-10,13H,1,11-12,14H2,2H3,(H,22,23)