1,7-bis[4-[(5-fluoranyl-1,3-benzothiazol-2-yl)-methyl-amino]piperidin-1-yl]heptane-1,7-dione

Systemtic Name: 1,7-bis[4-[(5-fluoranyl-1,3-benzothiazol-2-yl)-methyl-amino]piperidin-1-yl]heptane-1,7-dione Openeye Name: 1,7-bis[4-[(5-fluoro-1,3-benzothiazol-2-yl)-methyl-amino]-1-piperidyl]heptane-1,7-dione CAS Name: 1,7-bis[4-[(5-fluoro-1,3-benzothiazol-2-yl)-methylamino]-1-piperidinyl]heptane-1,7-dione IUPAC Name: 1,7-bis[4-[(5-fluoro-1,3-benzothiazol-2-yl)-methylamino]piperidin-1-yl]heptane-1,7-dione Traditional Name: 1,7-bis[4-[(5-fluoro-1,3-benzothiazol-2-yl)-methyl-amino]piperidino]heptane-1,7-dione Formula: C33H40F2N6O2S2 MolecularWeight: 654.836506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C(=O)CCCCCC(=O)N2CCC(CC2)N(C)C3=NC4=C(S3)C=CC(=C4)F)C5=NC6=C(S5)C=CC(=C6)F

Isomeric SMILES

CN(C1CCN(CC1)C(=O)CCCCCC(=O)N2CCC(CC2)N(C)C3=NC4=C(S3)C=CC(=C4)F)C5=NC6=C(S5)C=CC(=C6)F

InChI

InChI=1S/C33H40F2N6O2S2/c1-38(32-36-26-20-22(34)8-10-28(26)44-32)24-12-16-40(17-13-24)30(42)6-4-3-5-7-31(43)41-18-14-25(15-19-41)39(2)33-37-27-21-23(35)9-11-29(27)45-33/h8-11,20-21,24-25H,3-7,12-19H2,1-2H3