N,N-dimethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide

Systemtic Name: N,N-dimethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Openeye Name: N,N-dimethyl-9-[8-(2-thienylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide CAS Name: N,N-dimethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]-3-xanthenecarboxamide IUPAC Name: N,N-dimethyl-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Traditional Name: N,N-dimethyl-9-[8-(2-thenyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carboxamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CC5=CC=CS5)C6=CC=CC=C6O2

Isomeric SMILES

CN(C)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CC5=CC=CS5)C6=CC=CC=C6O2

InChI

InChI=1S/C28H28N2O2S/c1-29(2)28(31)18-9-12-24-26(16-18)32-25-8-4-3-7-23(25)27(24)19-14-20-10-11-21(15-19)30(20)17-22-6-5-13-33-22/h3-9,12-13,16,20-21H,10-11,14-15,17H2,1-2H3