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

Systemtic Name: N-(2-hydroxyethyl)-3-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Openeye Name: N-(2-hydroxyethyl)-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: N-(2-hydroxyethyl)-3-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzamide IUPAC Name: N-(2-hydroxyethyl)-3-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Traditional Name: N-(2-hydroxyethyl)-3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]benzamide Formula: C31H31N3O4S MolecularWeight: 541.66054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSC3=CC=CC(=C3)C(=O)NCCO)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSC3=CC=CC(=C3)C(=O)NCCO)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C31H31N3O4S/c35-17-15-33-31(37)23-8-4-9-24(18-23)39-20-27-25-10-5-11-28(36)26(25)12-13-29(27)38-30(19-34-16-14-32-21-34)22-6-2-1-3-7-22/h1-4,6-9,12-14,16,18,21,30,35H,5,10-11,15,17,19-20H2,(H,33,37)