(5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3,5-bis(fluoranyl)phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxidanylidene-2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

Systemtic Name: (5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3,5-bis(fluoranyl)phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxidanylidene-2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one Openeye Name: (5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3,5-difluoro-phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]ethyl]thiazolidin-4-one CAS Name: (5S)-2-[2-(4-tert-butyl-1-piperazinyl)-3,5-difluorophenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]ethyl]-4-thiazolidinone IUPAC Name: (5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one Traditional Name: (5S)-2-[2-(4-tert-butylpiperazino)-3,5-difluoro-phenyl]-3-(3,3-dimethylbutyl)-5-[2-keto-2-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]ethyl]thiazolidin-4-one Formula: C39H54F2N6O3S MolecularWeight: 724.946266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1C(SC(C1=O)CC(=O)N2CCC(CC2)N3CCC4=CC=CC=C4NC3=O)C5=CC(=CC(=C5N6CCN(CC6)C(C)(C)C)F)F

Isomeric SMILES

CC(C)(C)CCN1C(S[C@H](C1=O)CC(=O)N2CCC(CC2)N3CCC4=CC=CC=C4NC3=O)C5=CC(=CC(=C5N6CCN(CC6)C(C)(C)C)F)F

InChI

InChI=1S/C39H54F2N6O3S/c1-38(2,3)14-18-47-35(49)32(51-36(47)29-23-27(40)24-30(41)34(29)44-19-21-45(22-20-44)39(4,5)6)25-33(48)43-15-12-28(13-16-43)46-17-11-26-9-7-8-10-31(26)42-37(46)50/h7-10,23-24,28,32,36H,11-22,25H2,1-6H3,(H,42,50)/t32-,36?/m0/s1