8-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]octanamide

Systemtic Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]octanamide Openeye Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,4-bis(isopropylsulfanyl)-6-methyl-3-pyridyl]octanamide CAS Name: 8-(1,3-benzothiazol-2-ylthio)-N-[6-methyl-2,4-bis(propan-2-ylthio)-3-pyridinyl]octanamide IUPAC Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)pyridin-3-yl]octanamide Traditional Name: 8-(1,3-benzothiazol-2-ylthio)-N-[2,4-bis(isopropylthio)-6-methyl-3-pyridyl]caprylamide Formula: C27H37N3OS4 MolecularWeight: 547.86218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)CCCCCCCSC2=NC3=CC=CC=C3S2)SC(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)SC(C)C)NC(=O)CCCCCCCSC2=NC3=CC=CC=C3S2)SC(C)C

InChI

InChI=1S/C27H37N3OS4/c1-18(2)33-23-17-20(5)28-26(34-19(3)4)25(23)30-24(31)15-9-7-6-8-12-16-32-27-29-21-13-10-11-14-22(21)35-27/h10-11,13-14,17-19H,6-9,12,15-16H2,1-5H3,(H,30,31)