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

Systemtic Name: 9-(8-azabicyclo[3.2.1]octan-3-ylidene)-N,N-diethyl-thioxanthene-3-carboxamide Openeye Name: 9-(8-azabicyclo[3.2.1]octan-3-ylidene)-N,N-diethyl-thioxanthene-3-carboxamide CAS Name: 9-(8-azabicyclo[3.2.1]octan-3-ylidene)-N,N-diethyl-3-thioxanthenecarboxamide IUPAC Name: 9-(8-azabicyclo[3.2.1]octan-3-ylidene)-N,N-diethylthioxanthene-3-carboxamide Traditional Name: 9-(8-azabicyclo[3.2.1]octan-3-ylidene)-N,N-diethyl-thioxanthene-3-carboxamide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4)C5=CC=CC=C5S2

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4)C5=CC=CC=C5S2

InChI

InChI=1S/C25H28N2OS/c1-3-27(4-2)25(28)16-9-12-21-23(15-16)29-22-8-6-5-7-20(22)24(21)17-13-18-10-11-19(14-17)26-18/h5-9,12,15,18-19,26H,3-4,10-11,13-14H2,1-2H3