9-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanyl-pyridin-3-yl)nonanamide

Systemtic Name: 9-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanyl-pyridin-3-yl)nonanamide Openeye Name: 9-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanyl-3-pyridyl)nonanamide CAS Name: 9-(1,3-benzothiazol-2-ylthio)-N-[4-methyl-2-(methylthio)-3-pyridinyl]nonanamide IUPAC Name: 9-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanylpyridin-3-yl)nonanamide Traditional Name: 9-(1,3-benzothiazol-2-ylthio)-N-[4-methyl-2-(methylthio)-3-pyridyl]pelargonamide Formula: C23H29N3OS3 MolecularWeight: 459.69086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)SC)NC(=O)CCCCCCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NC=C1)SC)NC(=O)CCCCCCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H29N3OS3/c1-17-14-15-24-22(28-2)21(17)26-20(27)13-7-5-3-4-6-10-16-29-23-25-18-11-8-9-12-19(18)30-23/h8-9,11-12,14-15H,3-7,10,13,16H2,1-2H3,(H,26,27)