N-[2-[3-(2-ethylimidazol-1-yl)propoxymethyl]-6-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[2-[3-(2-ethylimidazol-1-yl)propoxymethyl]-6-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[2-[3-(2-ethylimidazol-1-yl)propoxymethyl]-6-methylsulfanyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[2-[3-(2-ethyl-1-imidazolyl)propoxymethyl]-6-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[2-[3-(2-ethylimidazol-1-yl)propoxymethyl]-6-methylsulfanylphenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[2-[3-(2-ethylimidazol-1-yl)propoxymethyl]-6-(methylthio)phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C31H33N3O3S MolecularWeight: 527.67702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1CCCOCC2=C(C(=CC=C2)SC)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCC1=NC=CN1CCCOCC2=C(C(=CC=C2)SC)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C31H33N3O3S/c1-3-29-32-16-18-34(29)17-9-19-36-21-22-10-8-15-28(38-2)31(22)33-30(35)20-25-23-11-4-6-13-26(23)37-27-14-7-5-12-24(25)27/h4-8,10-16,18,25H,3,9,17,19-21H2,1-2H3,(H,33,35)