5-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]-2-piperazin-1-yl-pentanamide

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]-2-piperazin-1-yl-pentanamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(isopropylsulfanyl)-6-methyl-3-pyridyl]-2-piperazin-1-yl-pentanamide CAS Name: 5-(1,3-benzoxazol-2-ylthio)-N-[6-methyl-2,4-bis(propan-2-ylthio)-3-pyridinyl]-2-(1-piperazinyl)pentanamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]-2-piperazin-1-ylpentanamide Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-N-[2,4-bis(isopropylthio)-6-methyl-3-pyridyl]-2-piperazino-valeramide Formula: C28H39N5O2S3 MolecularWeight: 573.83656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4)SC(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4)SC(C)C

InChI

InChI=1S/C28H39N5O2S3/c1-18(2)37-24-17-20(5)30-27(38-19(3)4)25(24)32-26(34)22(33-14-12-29-13-15-33)10-8-16-36-28-31-21-9-6-7-11-23(21)35-28/h6-7,9,11,17-19,22,29H,8,10,12-16H2,1-5H3,(H,32,34)