N,N-diethyl-9-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide

Systemtic Name: N,N-diethyl-9-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Openeye Name: N,N-diethyl-9-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide CAS Name: N,N-diethyl-9-[8-[2-(methylthio)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-3-xanthenecarboxamide IUPAC Name: N,N-diethyl-9-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Traditional Name: N,N-diethyl-9-[8-[2-(methylthio)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CCSC)C5=CC=CC=C5O2

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CCSC)C5=CC=CC=C5O2

InChI

InChI=1S/C28H34N2O2S/c1-4-29(5-2)28(31)19-10-13-24-26(18-19)32-25-9-7-6-8-23(25)27(24)20-16-21-11-12-22(17-20)30(21)14-15-33-3/h6-10,13,18,21-22H,4-5,11-12,14-17H2,1-3H3