2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: 2-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]-N-prop-2-enylbenzamide IUPAC Name: 2-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]benzamide Formula: C32H31N3O3S MolecularWeight: 537.67184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H31N3O3S/c1-2-17-34-32(37)26-11-6-7-14-31(26)39-21-27-24-12-8-13-28(36)25(24)15-16-29(27)38-30(20-35-19-18-33-22-35)23-9-4-3-5-10-23/h2-7,9-11,14-16,18-19,22,30H,1,8,12-13,17,20-21H2,(H,34,37)