3-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-(2-methylbutyl)benzamide

Systemtic Name: 3-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-(2-methylbutyl)benzamide Openeye Name: 3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]-N-(2-methylbutyl)benzamide CAS Name: 3-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]-N-(2-methylbutyl)benzamide IUPAC Name: 3-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-(2-methylbutyl)benzamide Traditional Name: 3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]-N-(2-methylbutyl)benzamide Formula: C34H37N3O3S MolecularWeight: 567.74088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H37N3O3S/c1-3-24(2)20-36-34(39)26-11-7-12-27(19-26)41-22-30-28-13-8-14-31(38)29(28)15-16-32(30)40-33(21-37-18-17-35-23-37)25-9-5-4-6-10-25/h4-7,9-12,15-19,23-24,33H,3,8,13-14,20-22H2,1-2H3,(H,36,39)