6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(propan-2-ylsulfanyl)-N-pyridin-3-yl-heptanamide

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(propan-2-ylsulfanyl)-N-pyridin-3-yl-heptanamide Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(isopropylsulfanyl)-N-(3-pyridyl)heptanamide CAS Name: 6-(1,3-benzoxazol-2-ylthio)-2,4-bis(propan-2-ylthio)-N-(3-pyridinyl)heptanamide IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(propan-2-ylsulfanyl)-N-pyridin-3-ylheptanamide Traditional Name: 6-(1,3-benzoxazol-2-ylthio)-2,4-bis(isopropylthio)-N-(3-pyridyl)enanthamide Formula: C25H33N3O2S3 MolecularWeight: 503.74342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(CC(C)SC1=NC2=CC=CC=C2O1)CC(C(=O)NC3=CN=CC=C3)SC(C)C

Isomeric SMILES

CC(C)SC(CC(C)SC1=NC2=CC=CC=C2O1)CC(C(=O)NC3=CN=CC=C3)SC(C)C

InChI

InChI=1S/C25H33N3O2S3/c1-16(2)31-20(13-18(5)33-25-28-21-10-6-7-11-22(21)30-25)14-23(32-17(3)4)24(29)27-19-9-8-12-26-15-19/h6-12,15-18,20,23H,13-14H2,1-5H3,(H,27,29)