tert-butyl 2-[[1-(1,3-benzothiazol-2-ylsulfanyl)-4-cyclohexyl-2-oxidanyl-butyl]amino]sulfanyl-2H-1,3-benzothiazole-3-carboxylate

Systemtic Name: tert-butyl 2-[[1-(1,3-benzothiazol-2-ylsulfanyl)-4-cyclohexyl-2-oxidanyl-butyl]amino]sulfanyl-2H-1,3-benzothiazole-3-carboxylate Openeye Name: tert-butyl 2-[[1-(1,3-benzothiazol-2-ylsulfanyl)-4-cyclohexyl-2-hydroxy-butyl]amino]sulfanyl-2H-1,3-benzothiazole-3-carboxylate CAS Name: 2-[[[1-(1,3-benzothiazol-2-ylthio)-4-cyclohexyl-2-hydroxybutyl]amino]thio]-2H-1,3-benzothiazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(1,3-benzothiazol-2-ylsulfanyl)-4-cyclohexyl-2-hydroxybutyl]amino]sulfanyl-2H-1,3-benzothiazole-3-carboxylate Traditional Name: 2-[[[1-(1,3-benzothiazol-2-ylthio)-4-cyclohexyl-2-hydroxy-butyl]amino]thio]-2H-1,3-benzothiazole-3-carboxylic acid tert-butyl ester Formula: C29H37N3O3S4 MolecularWeight: 603.88238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(SC2=CC=CC=C21)SNC(C(CCC3CCCCC3)O)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(SC2=CC=CC=C21)SNC(C(CCC3CCCCC3)O)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H37N3O3S4/c1-29(2,3)35-27(34)32-21-14-8-10-16-24(21)37-28(32)39-31-25(22(33)18-17-19-11-5-4-6-12-19)38-26-30-20-13-7-9-15-23(20)36-26/h7-10,13-16,19,22,25,28,31,33H,4-6,11-12,17-18H2,1-3H3