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

Systemtic Name: N-(2-dimethylaminoethyl)-3-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-3-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]benzamide Formula: C33H36N4O3S MolecularWeight: 568.72894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H36N4O3S/c1-36(2)18-17-35-33(39)25-10-6-11-26(20-25)41-22-29-27-12-7-13-30(38)28(27)14-15-31(29)40-32(21-37-19-16-34-23-37)24-8-4-3-5-9-24/h3-6,8-11,14-16,19-20,23,32H,7,12-13,17-18,21-22H2,1-2H3,(H,35,39)