tert-butyl 2-[[2,4-bis(4-fluorophenyl)-2-methyl-piperazin-1-yl]-ethyl-carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 2-[[2,4-bis(4-fluorophenyl)-2-methyl-piperazin-1-yl]-ethyl-carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 2-[[2,4-bis(4-fluorophenyl)-2-methyl-piperazin-1-yl]-ethyl-carbamoyl]-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: 2-[[[2,4-bis(4-fluorophenyl)-2-methyl-1-piperazinyl]-ethylamino]-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2,4-bis(4-fluorophenyl)-2-methylpiperazin-1-yl]-ethylcarbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: 2-[[2,4-bis(4-fluorophenyl)-2-methyl-piperazino]-ethyl-carbamoyl]-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C33H39F2N5O3S MolecularWeight: 623.756266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1(N(CCS1)C(=O)OC(C)(C)C)C2=CN=CC=C2)N3CCN(CC3(C)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCN(C(=O)C1(N(CCS1)C(=O)OC(C)(C)C)C2=CN=CC=C2)N3CCN(CC3(C)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H39F2N5O3S/c1-6-39(29(41)33(25-8-7-17-36-22-25)38(20-21-44-33)30(42)43-31(2,3)4)40-19-18-37(28-15-13-27(35)14-16-28)23-32(40,5)24-9-11-26(34)12-10-24/h7-17,22H,6,18-21,23H2,1-5H3