1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-(9H-thioxanthen-9-ylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-(9H-thioxanthen-9-ylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-(9H-thioxanthen-9-ylmethyl)-1-piperidyl]propan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-3-[3-(9H-thioxanthen-9-ylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-(9H-thioxanthen-9-ylmethyl)piperidin-1-yl]propan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-3-[3-(9H-thioxanthen-9-ylmethyl)piperidino]propan-1-one Formula: C32H36N4O3S MolecularWeight: 556.71824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC4C5=CC=CC=C5SC6=CC=CC=C46

Isomeric SMILES

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])CC4C5=CC=CC=C5SC6=CC=CC=C46

InChI

InChI=1S/C32H36N4O3S/c37-32(35-20-18-34(19-21-35)25-11-13-26(14-12-25)36(38)39)15-17-33-16-5-6-24(23-33)22-29-27-7-1-3-9-30(27)40-31-10-4-2-8-28(29)31/h1-4,7-14,24,29H,5-6,15-23H2