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

Systemtic Name: 3-[[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)-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: N-(2-hydroxypropyl)-3-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzamide IUPAC Name: N-(2-hydroxypropyl)-3-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Traditional Name: N-(2-hydroxypropyl)-3-[[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=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(CNC(=O)C1=CC(=CC=C1)SCC2=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)24-9-5-10-25(17-24)40-20-28-26-11-6-12-29(37)27(26)13-14-30(28)39-31(19-35-16-15-33-21-35)23-7-3-2-4-8-23/h2-5,7-10,13-17,21-22,31,36H,6,11-12,18-20H2,1H3,(H,34,38)