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

Systemtic Name: 2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-(2-oxidanylpropyl)benzamide Openeye Name: N-(2-hydroxypropyl)-2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: N-(2-hydroxypropyl)-2-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzamide IUPAC Name: N-(2-hydroxypropyl)-2-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Traditional Name: N-(2-hydroxypropyl)-2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]benzamide Formula: C32H33N3O4S MolecularWeight: 555.68712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33N3O4S/c1-22(36)18-34-32(38)26-10-5-6-13-31(26)40-20-27-24-11-7-12-28(37)25(24)14-15-29(27)39-30(19-35-17-16-33-21-35)23-8-3-2-4-9-23/h2-6,8-10,13-17,21-22,30,36H,7,11-12,18-20H2,1H3,(H,34,38)