10,10-bis(oxidanylidene)-3-[3-(phenylmethylidene)-2-piperidin-1-yl-cyclopenten-1-yl]carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[3-(phenylmethylidene)-2-piperidin-1-yl-cyclopenten-1-yl]carbonyl-thioxanthen-9-one Openeye Name: 3-[3-benzylidene-2-(1-piperidyl)cyclopentene-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-[3-(phenylmethylene)-2-(1-piperidinyl)-1-cyclopentenyl]methyl]-9-thioxanthenone IUPAC Name: 3-(3-benzylidene-2-piperidin-1-ylcyclopentene-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(3-benzal-2-piperidino-cyclopentene-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C31H27NO4S MolecularWeight: 509.61538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(CCC2=CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1CCN(CC1)C2=C(CCC2=CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C31H27NO4S/c33-30(23-14-15-25-28(20-23)37(35,36)27-12-6-5-11-24(27)31(25)34)26-16-13-22(19-21-9-3-1-4-10-21)29(26)32-17-7-2-8-18-32/h1,3-6,9-12,14-15,19-20H,2,7-8,13,16-18H2