3-[[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: 3-[[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-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: 3-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]-N-prop-2-enylbenzamide IUPAC Name: 3-[[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-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]benzamide Formula: C32H31N3O3S MolecularWeight: 537.67184

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC(=CC=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCNC(=O)C1=CC(=CC=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

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