5-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]pentanamide Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]pentanamide CAS Name: 5-(1,3-benzothiazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]pentanamide Traditional Name: 5-(1,3-benzothiazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]valeramide Formula: C22H27N3OS4 MolecularWeight: 477.72928

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)CCCCSC2=NC3=CC=CC=C3S2)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)CCCCSC2=NC3=CC=CC=C3S2)SCC)C

InChI

InChI=1S/C22H27N3OS4/c1-4-27-18-14-15(3)23-21(28-5-2)20(18)25-19(26)12-8-9-13-29-22-24-16-10-6-7-11-17(16)30-22/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,25,26)