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

Systemtic Name: 3-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-(1-oxidanylbutan-2-yl)benzamide Openeye Name: N-[1-(hydroxymethyl)propyl]-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: N-(1-hydroxybutan-2-yl)-3-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzamide IUPAC Name: N-(1-hydroxybutan-2-yl)-3-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Traditional Name: 3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]-N-(1-methylolpropyl)benzamide Formula: C33H35N3O4S MolecularWeight: 569.7137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H35N3O4S/c1-2-25(20-37)35-33(39)24-10-6-11-26(18-24)41-21-29-27-12-7-13-30(38)28(27)14-15-31(29)40-32(19-36-17-16-34-22-36)23-8-4-3-5-9-23/h3-6,8-11,14-18,22,25,32,37H,2,7,12-13,19-21H2,1H3,(H,35,39)