10,10-bis(oxidanylidene)-3-[4-(phenylmethyl)piperidin-1-yl]thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[4-(phenylmethyl)piperidin-1-yl]thioxanthen-9-one Openeye Name: 3-(4-benzyl-1-piperidyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 10,10-dioxo-3-[4-(phenylmethyl)-1-piperidinyl]-9-thioxanthenone IUPAC Name: 3-(4-benzylpiperidin-1-yl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(4-benzylpiperidino)-10,10-diketo-thioxanthen-9-one Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H23NO3S/c27-25-21-8-4-5-9-23(21)30(28,29)24-17-20(10-11-22(24)25)26-14-12-19(13-15-26)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2