4-[[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: 4-[[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]-4-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: N-(1-hydroxybutan-2-yl)-4-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzamide IUPAC Name: N-(1-hydroxybutan-2-yl)-4-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Traditional Name: 4-[[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=C(C=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(CO)NC(=O)C1=CC=C(C=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)24-11-13-26(14-12-24)41-21-29-27-9-6-10-30(38)28(27)15-16-31(29)40-32(19-36-18-17-34-22-36)23-7-4-3-5-8-23/h3-5,7-8,11-18,22,25,32,37H,2,6,9-10,19-21H2,1H3,(H,35,39)