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

Systemtic Name: N-(2-hydroxyethyl)-2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Openeye Name: N-(2-hydroxyethyl)-2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzamide CAS Name: N-(2-hydroxyethyl)-2-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzamide IUPAC Name: N-(2-hydroxyethyl)-2-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide Traditional Name: N-(2-hydroxyethyl)-2-[[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=C3C(=O)NCCO)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSC3=CC=CC=C3C(=O)NCCO)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

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